data_6f8e_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6f8e _Structure_validation_residue.Date_analyzed 2019-01-25 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 ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 110.648 -0.131 . . . . 2.45 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.485 ' O ' ' HG2' ' A' ' 21' ' ' MET . 66.6 mtt -61.43 -34.69 75.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.634 -0.257 . . . . 2.36 111.176 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -75.7 -35.99 60.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.281 -0.568 . . . . 2.15 110.505 175.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.681 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -72.62 -39.15 67.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 1.66 110.724 -174.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 31.2 m -64.3 -31.65 54.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.051 -0.522 . . . . 1.04 110.248 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 17' ' ' MET . 25.1 mmt -65.59 -34.39 78.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.107 0.48 . . . . 3.23 110.306 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.681 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 43.6 mt-30 -65.93 -46.21 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.05 109.327 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 51.9 m-85 -67.35 -31.82 72.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.508 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 28.3 ttt180 -60.64 -41.18 94.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.71 110.835 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -66.93 -35.57 80.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.404 . . . . 3.38 110.616 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.35 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.888 -0.596 . . . . 0.83 111.084 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.66 -19.95 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.044 -0.525 . . . . 1.07 110.396 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.609 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 85.4 m -76.37 107.23 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.146 -0.687 . . . . 1.04 109.146 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 172.51 16.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.985 -0.552 . . . . 1.44 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.74 126.62 68.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.103 -0.702 . . . . 1.59 109.103 171.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.01 149.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 1.08 110.377 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.24 120.65 40.83 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.083 0.468 . . . . 1.38 110.194 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.0 mt -86.78 146.08 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 1.06 110.836 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -145.96 106.07 4.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.535 -0.543 . . . . 1.44 109.535 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.456 HG21 ' HB3' ' A' ' 37' ' ' LEU . 4.9 t -169.87 -168.26 0.74 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 121.072 -0.251 . . . . 0.95 110.479 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -66.34 -16.45 64.06 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.32 0.581 . . . . 3.78 110.239 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 26.0 tp -65.03 -61.66 2.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.308 -0.86 . . . . 1.5 109.041 173.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.0 p90 177.72 -178.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.214 -0.903 . . . . 1.26 109.038 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.45 100.15 5.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.372 -0.603 . . . . 0.69 109.372 171.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -151.91 157.43 41.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.618 -0.512 . . . . 2.08 109.618 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 44.6 m -83.05 115.8 22.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.599 -0.519 . . . . 1.06 109.599 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.63 159.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.989 -0.55 . . . . 1.05 110.554 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 39.8 ttpt -102.86 122.71 45.09 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.93 -0.767 . . . . 2.07 108.93 171.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.39 159.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 110.136 -0.32 . . . . 1.17 110.136 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -175.14 -172.01 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.796 -0.816 . . . . 0.99 108.796 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -138.78 161.16 37.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.818 -0.438 . . . . 0.68 109.818 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.533 ' OG ' ' HB2' ' A' ' 52' ' ' GLU . 55.7 m -66.4 -179.2 0.77 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.72 0.267 . . . . 1.18 111.72 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.35 -50.4 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.686 0.279 . . . . 2.59 111.019 -170.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.77 13.09 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 0.71 110.778 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.97 46.22 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 111.73 -0.548 . . . . 0.43 111.73 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 12.9 pt-20 -72.34 -16.18 61.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.523 0.564 . . . . 1.99 112.523 -172.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HB2' ' OG ' ' A' ' 47' ' ' SER . 39.8 mt-10 -143.17 153.61 43.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.73 -0.214 . . . . 1.49 111.389 -174.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 59.9 t -106.06 129.25 59.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.514 -0.921 . . . . 1.06 108.514 170.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' OE1' ' HA3' ' A' ' 73' ' ' GLY . 9.3 mm-40 -127.58 156.43 42.27 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.147 -0.316 . . . . 2.12 110.147 -173.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 20.9 p90 -144.26 155.5 43.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.381 0.61 . . . . 0.35 111.66 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.0 m-85 -120.5 119.58 33.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.964 -1.017 . . . . 0.71 109.397 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.729 0.299 . . . . 1.77 110.675 -174.055 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 Cg_exo . . . . . 0 N--CA 1.459 -0.523 0 CA-C-O 121.258 0.441 . . . . 0.74 112.419 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.497 ' OG ' ' HA ' ' A' ' 56' ' ' PHE . 3.2 m -78.87 -7.71 58.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.496 -0.774 . . . . 1.28 110.208 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.53 168.27 33.67 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.421 -1.072 . . . . 0.3 110.421 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.481 ' HA3' ' OE1' ' A' ' 54' ' ' GLN . . . 166.69 -175.94 41.9 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.164 -1.017 . . . . 0.4 112.743 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.674 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -168.3 156.13 7.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.099 -0.334 . . . . 0.27 110.099 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.485 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.7 Cg_exo -68.57 139.99 46.18 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.582 2.188 . . . . 0.27 112.613 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 38.6 t -67.38 -36.59 76.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.055 -0.975 . . . . 1.09 111.376 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.44 -22.7 64.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.282 0.563 . . . . 1.29 110.411 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 78' ' ' LYS . 1.3 mptp? -91.82 -6.98 50.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 2.13 111.883 -173.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.674 HG12 ' CE2' ' A' ' 74' ' ' PHE . 14.3 mt -61.72 113.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.346 -0.612 . . . . 1.06 109.346 173.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.524 ' HB ' HD21 ' A' ' 97' ' ' ASN . 14.1 t -79.0 -29.6 43.8 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.755 -0.378 . . . . 1.06 111.039 -174.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 137.73 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 1.1 111.293 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.432 HG22 ' OE1' ' A' ' 118' ' ' GLN . 7.3 p -123.3 107.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.583 -0.895 . . . . 2.0 108.583 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 93' ' ' VAL . 8.6 pttt -138.27 167.75 21.19 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.737 0.779 . . . . 2.27 111.863 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -116.22 154.19 30.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.368 -0.833 . . . . 1.11 108.773 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.504 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.85 176.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.535 0.207 . . . . 0.47 111.467 -178.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.8 89.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 1.34 110.867 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -105.7 -26.29 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.234 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.504 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.8 p-10 33.28 40.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.957 1.466 . . . . 1.77 114.957 172.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.5 m -52.97 -62.52 1.6 Allowed 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 120.545 -0.462 . . . . 1.26 110.594 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 108' ' ' PHE . 19.8 ptmt -115.22 12.39 16.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.456 0.539 . . . . 2.03 112.456 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.414 HG12 ' NE2' ' A' ' 85' ' ' GLN . 5.0 t -113.7 135.81 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.871 0.693 . . . . 1.15 112.871 -171.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.676 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.2 mp -118.31 153.03 34.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.383 0.673 . . . . 1.07 109.794 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.485 ' C ' HD12 ' A' ' 94' ' ' ILE . 1.6 p -135.08 117.65 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 121.435 0.636 . . . . 1.11 111.313 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -130.47 130.01 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.317 -0.401 . . . . 1.07 110.123 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -119.5 145.13 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.06 -0.348 . . . . 0.98 110.06 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.1 p -122.98 147.12 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.146 0.425 . . . . 1.06 112.146 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.524 HD21 ' HB ' ' A' ' 80' ' ' THR . 7.6 p30 -116.18 153.84 31.1 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.523 -0.547 . . . . 2.46 109.523 172.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.541 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.7 t30 95.21 -64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.193 1.397 . . . . 0.81 111.211 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 48.7 Cg_exo -60.13 170.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 CA-C-N 121.227 1.474 . . . . 0.47 110.008 159.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.51 113.66 8.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.306 -0.627 . . . . 2.5 109.306 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -46.76 111.67 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.271 2.647 . . . . 0.81 112.531 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -133.72 145.31 49.75 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.128 -0.942 . . . . 1.07 109.128 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 87.7 m -114.49 109.44 18.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.085 0.469 . . . . 1.03 109.939 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -90.69 125.47 35.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.747 -0.661 . . . . 0.98 110.795 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.676 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -102.27 106.06 16.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 175.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.404 ' CE1' HD23 ' A' ' 33' ' ' LEU . 69.3 m-85 -84.41 110.97 19.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.397 -0.594 . . . . 0.48 109.397 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.4 m -120.84 134.29 55.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 1.18 110.347 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.466 ' O ' ' HE3' ' A' ' 90' ' ' LYS . 9.7 t80 -140.71 169.01 18.45 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.645 -0.422 . . . . 0.45 110.162 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.78 -44.57 85.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.158 0.504 . . . . 2.48 109.741 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 41.2 t -69.18 121.87 83.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.262 -0.881 . . . . 1.12 111.108 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.478 ' C ' HH21 ' A' ' 114' ' ' ARG . 17.0 Cg_exo -68.81 3.72 2.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.928 2.419 . . . . 1.09 112.251 174.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.71 -38.88 0.74 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.501 -0.857 . . . . 0.63 112.827 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 8.8 tp10 -50.68 -45.78 58.37 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.268 0.556 . . . . 1.14 112.363 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.47 -42.39 74.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 3.42 110.364 -174.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.41 -32.42 71.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.416 -0.357 . . . . 1.68 111.455 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.9 m -58.48 -42.17 86.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.482 -0.562 . . . . 1.44 109.482 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -66.38 -43.67 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.628 -0.715 . . . . 0.3 109.691 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 6.4 tp-100 -53.35 -50.21 65.51 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.259 -0.882 . . . . 0.74 111.708 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.15 -32.87 61.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.913 -0.315 . . . . 0.47 111.606 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.525 -0.307 . . . . 0.32 111.649 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 122' ' ' GLN . 9.7 tp -63.42 -36.7 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 1.06 110.186 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 76.0 mt-30 -60.4 -47.47 85.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.191 0.519 . . . . 1.44 109.851 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.7 m -60.49 -41.44 94.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.268 -0.878 . . . . 1.7 110.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -67.13 -45.78 76.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.088 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.477 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.1 mtp -58.4 -51.79 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.98 111.238 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.79 -18.01 61.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.22 -0.446 . . . . 1.93 111.114 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.58 -51.15 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.286 -0.415 . . . . 0.56 111.063 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.447 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 14.4 ptm . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 2.18 111.511 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 20' ' ' VAL . 59.0 ttt180 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.986 -0.375 . . . . 2.45 109.986 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.5 -39.6 76.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 2.36 111.599 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.0 ptpp? -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.156 -0.617 . . . . 2.15 110.905 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.639 ' HA ' HE21 ' A' ' 22' ' ' GLN . 0.7 OUTLIER -72.89 -39.92 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 1.66 111.145 -177.498 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 16' ' ' ARG . 31.6 m -66.74 -31.7 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.442 -0.344 . . . . 1.04 110.202 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.5 mmm -67.51 -37.75 83.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.821 0.343 . . . . 3.23 110.178 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.639 HE21 ' HA ' ' A' ' 19' ' ' LYS . 55.3 mt-30 -58.6 -45.26 89.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.119 172.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' HD21 ' A' ' 124' ' ' LEU . 43.3 m-85 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.199 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 36.0 ttt180 -61.91 -40.81 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.71 110.77 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -60.4 -37.62 81.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 3.38 110.28 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.47 -13.64 57.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.433 -0.803 . . . . 0.83 111.488 -176.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.36 -17.01 17.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.097 -0.501 . . . . 1.07 110.701 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.586 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 86.7 m -80.89 106.15 12.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.175 0.512 . . . . 1.04 110.382 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.3 mptp? -148.89 169.74 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.614 -0.721 . . . . 1.44 110.24 -171.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.58 126.91 62.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.177 -1.046 . . . . 1.59 108.177 164.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.44 155.65 7.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.02 -0.363 . . . . 1.08 110.02 -174.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -106.2 120.66 42.42 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.887 0.375 . . . . 1.38 110.247 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.2 mt -88.89 138.25 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 1.06 111.095 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -140.13 106.55 5.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 1.44 109.728 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 37' ' ' LEU . 5.2 t -168.98 -168.15 0.82 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.835 -0.346 . . . . 0.95 111.073 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -57.55 -24.76 57.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.25 0.548 . . . . 3.78 110.527 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HB3' HG22 ' A' ' 35' ' ' THR . 61.4 tp -64.17 -59.07 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.276 -0.875 . . . . 1.5 109.829 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CZ ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 175.15 -171.04 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.312 -0.625 . . . . 1.26 109.312 179.07 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 8.5 p -141.06 99.03 3.5 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.167 -0.309 . . . . 0.69 110.167 173.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.1 mt-10 -156.73 167.78 29.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.813 -0.63 . . . . 2.08 109.316 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 10.3 m -82.74 127.19 33.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.837 0.351 . . . . 1.06 110.609 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 57' ' ' LYS . 3.5 m -125.76 158.83 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.326 -0.397 . . . . 1.05 110.413 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 27.9 ttpp -101.56 120.29 40.09 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.264 -0.643 . . . . 2.07 109.264 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.41 152.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 1.17 110.103 -173.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.405 HG22 ' HG3' ' A' ' 54' ' ' GLN . 15.1 t -177.01 -172.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.215 -0.661 . . . . 0.99 109.215 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -137.56 168.04 20.46 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.134 -0.321 . . . . 0.68 110.134 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 p -71.13 178.43 3.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.682 0.253 . . . . 1.18 111.682 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -69.34 -34.03 74.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.515 0.197 . . . . 2.59 111.478 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.86 -0.12 57.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.447 -0.342 . . . . 0.71 110.48 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 76' ' ' VAL . . . 70.21 9.56 64.12 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 115.868 -0.605 . . . . 0.43 112.337 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.15 -29.82 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 1.99 110.998 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -121.36 145.74 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 1.49 111.47 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 47.6 t -104.2 120.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.143 -1.058 . . . . 1.06 108.143 168.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 45' ' ' THR . 10.3 pt20 -126.31 160.74 29.52 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.943 0.401 . . . . 2.12 110.896 -174.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 16.3 p90 -146.85 159.83 43.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.377 0.608 . . . . 0.35 111.238 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.6 m-85 -119.27 102.6 8.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.098 -0.956 . . . . 0.71 109.015 176.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.651 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 mtmm . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.004 -0.543 . . . . 1.77 110.537 -174.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.473 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 Cg_exo . . . . . 0 N--CA 1.458 -0.591 0 CA-C-O 120.996 0.332 . . . . 0.74 111.503 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 23.0 t -92.59 4.79 52.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.524 0.678 . . . . 1.28 109.724 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.82 165.48 19.97 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.286 -1.126 . . . . 0.3 110.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 53' ' ' VAL . . . 170.46 155.6 10.5 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.917 -1.135 . . . . 0.4 113.051 -178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -145.73 153.86 51.14 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.741 -0.466 . . . . 0.27 109.741 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.524 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 6.5 Cg_exo -71.98 139.44 32.98 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.452 2.102 . . . . 0.27 112.287 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 49.9 t -65.16 -36.91 78.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.64 -1.164 . . . . 1.09 111.87 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.28 -17.25 60.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.182 0.515 . . . . 1.29 110.698 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.3 mptp? -91.52 -7.62 49.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.194 -0.457 . . . . 2.13 111.496 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.631 HG12 ' CE2' ' A' ' 74' ' ' PHE . 17.0 mt -64.95 124.58 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.461 -0.57 . . . . 1.06 109.461 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.441 ' H ' ' HA ' ' A' ' 96' ' ' VAL . 11.4 t -84.39 -39.03 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.603 -0.439 . . . . 1.06 111.023 -174.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -160.24 136.3 8.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.963 0.411 . . . . 1.1 111.495 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.495 HG11 ' OE1' ' A' ' 118' ' ' GLN . 52.3 t -118.96 106.5 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.842 -0.617 . . . . 2.0 109.426 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HB2' HG13 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -124.61 167.54 14.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.496 0.665 . . . . 2.27 111.698 -175.539 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.1 p -108.29 154.16 22.2 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.741 -0.837 . . . . 1.11 108.741 168.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.492 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.84 172.65 1.25 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.282 0.087 . . . . 0.47 111.215 -178.486 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.83 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 1.34 111.081 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.49 -25.06 10.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 1.59 110.247 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 8.4 p30 33.03 44.53 0.05 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.714 1.376 . . . . 1.77 114.714 173.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.3 m -51.17 -58.0 7.29 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.323 -0.551 . . . . 1.26 110.194 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.506 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 5.0 ptpp? -116.91 4.62 12.88 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.783 1.031 . . . . 2.03 113.783 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.7 t -110.25 135.47 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.701 1.0 . . . . 1.15 113.701 -168.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.8 mp -112.61 152.44 28.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.649 -0.705 . . . . 1.07 110.009 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.446 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.7 p -132.18 109.84 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.741 0.781 . . . . 1.11 111.614 178.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.455 HG13 HG13 ' A' ' 82' ' ' VAL . 2.1 mp -121.04 132.49 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 1.07 109.822 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -124.82 144.21 50.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 0.98 110.589 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.441 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.3 p -120.14 144.96 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 1.06 110.86 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.403 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 49.8 t-20 -131.77 97.05 4.09 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.827 0.346 . . . . 2.46 111.112 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.596 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.8 t30 165.34 -56.42 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.646 0 O-C-N 124.736 1.273 . . . . 0.81 108.475 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.9 173.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.221 1.948 . . . . 0.47 110.575 157.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -59.24 126.57 82.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.373 -0.603 . . . . 2.5 109.373 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.65 111.78 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.242 2.628 . . . . 0.81 112.866 -171.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -140.36 145.93 37.77 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.457 -0.792 . . . . 1.07 109.922 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.2 m -121.37 108.5 13.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.201 -0.666 . . . . 1.03 109.201 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.35 122.12 32.27 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.683 -0.69 . . . . 0.98 110.535 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 28.9 m-80 -104.98 103.79 13.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.563 -0.744 . . . . 0.46 109.721 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.771 -1.104 . . . . 0.48 109.616 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.462 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 23.3 m -119.97 137.21 54.2 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.945 -0.571 . . . . 1.18 110.426 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -140.19 167.64 21.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.054 -0.721 . . . . 0.45 109.054 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 28.8 tttt -65.89 -45.88 80.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.044 0.449 . . . . 2.48 110.22 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.552 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 37.6 t -71.91 112.28 13.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 1.12 111.683 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 109' ' ' LYS . 27.8 Cg_exo -62.49 4.84 0.3 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.596 2.864 . . . . 1.09 112.861 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 110' ' ' SER . . . -109.63 -39.65 1.57 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.702 -0.761 . . . . 0.63 112.073 172.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.26 -52.04 64.7 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.544 0.572 . . . . 1.14 112.544 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 110' ' ' SER . 0.0 OUTLIER -69.02 -45.33 70.77 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.821 -0.352 . . . . 3.42 111.221 -173.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.32 -33.56 74.91 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.753 0.279 . . . . 1.68 111.753 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -39.97 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.941 -0.392 . . . . 1.44 109.941 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.57 -41.5 92.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.401 -0.592 . . . . 0.3 109.401 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.3 tp-100 -53.34 -52.45 59.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.855 -1.066 . . . . 0.74 112.052 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.53 -31.56 62.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.021 0.439 . . . . 0.47 110.975 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.475 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.5 mm100 -69.46 -45.56 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 0.32 111.788 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.7 -44.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 1.06 110.752 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 7.7 pt20 -70.04 -27.98 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.74 -0.384 . . . . 1.44 110.902 -176.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.8 m -68.33 -42.04 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 1.7 110.212 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -63.66 -43.15 97.58 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.554 -0.536 . . . . 1.05 109.554 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.558 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 56.4 mtp -55.67 -52.91 62.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.98 110.972 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -65.5 -39.24 91.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.651 -0.704 . . . . 1.93 111.014 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.86 -39.45 62.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.988 0.366 . . . . 0.56 111.988 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.5 ptp . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 112.043 0.386 . . . . 2.18 112.043 -177.483 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' HG11 ' A' ' 20' ' ' VAL . 27.6 ttm180 . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 111.173 0.064 . . . . 2.45 111.173 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.6 mtm -58.47 -40.02 81.58 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.961 -0.296 . . . . 2.36 111.406 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.733 ' O ' ' HB2' ' A' ' 21' ' ' MET . 18.6 ptpt -77.33 -34.92 55.21 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.489 -0.484 . . . . 2.15 110.796 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.798 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.9 tmtp? -74.47 -32.31 62.54 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.592 0.357 . . . . 1.66 111.368 -172.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 16' ' ' ARG . 33.8 m -63.87 -29.62 47.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.401 -0.592 . . . . 1.04 109.401 173.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.733 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 65.6 mtt -57.02 -41.59 78.86 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.415 0.447 . . . . 3.23 110.709 174.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.798 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 1.9 mp0 -56.09 -50.68 70.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.256 0.551 . . . . 1.05 110.916 171.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 124' ' ' LEU . 57.5 m-85 -68.8 -28.82 67.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.221 -0.9 . . . . 1.0 111.478 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 31.7 ttt180 -65.84 -36.99 85.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 0.71 110.77 -175.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.17 -31.37 69.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 3.38 110.234 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.71 -17.86 46.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.766 -0.652 . . . . 0.83 110.924 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.73 -14.55 19.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 1.07 111.109 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.612 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.4 m -85.23 104.7 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 1.04 109.967 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.3 mptm? -147.59 167.02 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.504 -0.771 . . . . 1.44 109.73 -175.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 127.87 55.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.542 -0.91 . . . . 1.59 108.542 168.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.84 149.51 14.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.895 0.378 . . . . 1.08 110.211 -174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -101.5 122.05 43.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.946 0.403 . . . . 1.38 110.421 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 39' ' ' SER . 20.8 mt -87.82 140.9 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 1.06 111.056 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.523 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 35.0 mtmt -143.43 106.21 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 1.44 109.919 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -169.19 -165.84 0.57 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.283 -0.266 . . . . 0.95 110.283 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.74 -19.56 65.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.483 0.659 . . . . 3.78 109.888 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 34.1 tp -63.96 -65.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.114 -0.948 . . . . 1.5 109.329 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.0 p90 -179.24 -174.88 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.589 -0.732 . . . . 1.26 109.774 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.7 p -129.46 99.89 5.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.269 -0.641 . . . . 0.69 109.269 170.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.2 159.08 43.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.59 . . . . 2.08 109.654 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 25.4 m -87.5 123.38 32.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.908 0.385 . . . . 1.06 110.003 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.86 159.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.938 -0.574 . . . . 1.05 110.006 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -103.82 122.37 44.99 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.955 -0.758 . . . . 2.07 108.955 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.53 155.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.738 -0.467 . . . . 1.17 109.738 -174.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -174.05 -179.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.273 -0.64 . . . . 0.99 109.273 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 17.3 p -124.36 170.91 10.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.463 -0.569 . . . . 0.68 109.463 173.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -71.86 -178.8 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.017 -0.273 . . . . 1.18 110.979 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.07 -28.51 65.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 2.59 110.347 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' C ' HG23 ' A' ' 20' ' ' VAL . 15.1 m-20 -94.09 0.17 55.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.71 110.228 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 76' ' ' VAL . . . 74.53 0.15 57.46 Favored Glycine 0 C--O 1.222 -0.608 0 C-N-CA 121.052 -0.594 . . . . 0.43 112.67 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.38 -16.83 58.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.677 0.621 . . . . 1.99 112.677 -170.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -125.62 144.73 50.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.538 0.209 . . . . 1.49 110.905 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.13 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.517 -0.92 . . . . 1.06 108.517 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.75 160.92 23.55 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.75 0.31 . . . . 2.12 110.26 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p90 -140.52 141.72 35.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.747 0.784 . . . . 0.35 111.845 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -102.15 101.14 11.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.759 -1.11 . . . . 0.71 108.554 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 109.47 -0.567 . . . . 1.77 109.47 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 N--CA 1.454 -0.804 0 N-CA-C 110.074 -0.779 . . . . 0.74 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -92.35 9.7 32.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.383 0.611 . . . . 1.28 110.141 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.04 167.22 30.2 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.397 -0.82 . . . . 0.3 111.087 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.55 170.36 32.25 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.686 -0.768 . . . . 0.4 112.236 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.708 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -155.9 155.24 29.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.114 -0.328 . . . . 0.27 110.114 177.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.479 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 13.6 Cg_exo -68.29 139.41 45.72 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.796 2.331 . . . . 0.27 112.882 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 50' ' ' GLY . 47.4 t -64.91 -37.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.988 -1.005 . . . . 1.09 111.592 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.75 -20.87 64.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 1.29 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 2.6 mptp? -94.15 -7.15 43.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 2.13 111.92 -174.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.708 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.2 mt -64.91 116.23 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.687 -0.486 . . . . 1.06 109.687 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.53 ' HB ' HD21 ' A' ' 97' ' ' ASN . 11.6 t -79.88 -36.15 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.779 -0.368 . . . . 1.06 111.206 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.0 m -157.77 136.04 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.016 0.436 . . . . 1.1 111.502 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.481 HG13 ' OE1' ' A' ' 118' ' ' GLN . 55.7 t -121.9 107.43 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.669 -0.863 . . . . 2.0 108.669 173.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -130.92 165.57 22.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.669 0.747 . . . . 2.27 110.738 -177.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 p -109.01 153.97 22.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.3 -0.864 . . . . 1.11 108.879 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.588 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -62.13 179.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.799 0.296 . . . . 0.47 111.799 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.22 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.852 0.358 . . . . 1.34 111.351 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.35 -22.01 8.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.059 -0.719 . . . . 1.59 109.059 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.588 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.4 p-10 41.17 48.4 3.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.065 -0.971 . . . . 1.77 113.191 172.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -47.41 -67.47 0.27 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.077 0.465 . . . . 1.26 110.128 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 5.1 ptpp? -115.15 6.75 15.19 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.128 0.418 . . . . 2.03 112.128 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.91 124.16 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 113.298 0.851 . . . . 1.15 113.298 -166.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.623 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 9.0 mp -111.6 152.11 27.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 1.07 110.107 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' C ' HD12 ' A' ' 94' ' ' ILE . 1.9 p -133.2 110.87 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.543 0.687 . . . . 1.11 111.536 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -124.7 131.63 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.654 . . . . 1.07 110.587 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.4 m -124.03 146.19 48.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.635 0.255 . . . . 0.98 110.77 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.513 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 p -120.58 146.48 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 111.778 0.288 . . . . 1.06 111.778 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.53 HD21 ' HB ' ' A' ' 80' ' ' THR . 6.5 p30 -117.58 150.26 39.29 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.731 -0.47 . . . . 2.46 109.731 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.586 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.0 t30 94.18 -65.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.98 1.312 . . . . 0.81 111.381 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 52.4 Cg_exo -58.73 171.65 1.92 Allowed 'Trans proline' 0 C--N 1.366 1.456 0 CA-C-N 121.337 1.513 . . . . 0.47 110.755 163.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.43 116.9 19.95 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.63 -0.507 . . . . 2.5 109.63 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.74 120.25 5.71 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.508 2.805 . . . . 0.81 113.015 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.7 m -144.68 141.96 29.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.882 -1.054 . . . . 1.07 109.658 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 60.4 m -119.74 108.85 14.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.331 0.586 . . . . 1.03 109.995 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -91.61 126.2 36.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.506 -0.77 . . . . 0.98 110.758 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.623 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.0 106.11 16.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.212 -0.662 . . . . 0.46 109.212 175.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' CE1' HD22 ' A' ' 33' ' ' LEU . 58.9 m-85 -84.74 111.53 19.68 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 0.48 109.343 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.523 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 35.8 m -120.31 137.43 54.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.778 -0.646 . . . . 1.18 110.719 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -140.81 174.03 10.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.747 -0.464 . . . . 0.45 109.747 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -65.94 -53.19 42.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.988 0.899 . . . . 2.48 109.075 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.476 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 15.9 m -75.27 110.1 9.4 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 113.449 -1.705 . . . . 1.12 111.191 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.2 5.94 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.554 2.836 . . . . 1.09 113.066 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.89 -32.09 3.18 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.834 -0.698 . . . . 0.63 111.646 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.58 -51.76 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.28 0.474 . . . . 1.14 112.28 -171.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.622 ' HE ' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -60.01 -40.98 91.1 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.892 0.377 . . . . 3.42 110.711 -177.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.563 ' H ' ' NH1' ' A' ' 114' ' ' ARG . 37.2 mt-10 -68.52 -35.05 76.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.467 -0.333 . . . . 1.68 111.808 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -34.42 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.705 -0.48 . . . . 1.44 109.705 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -72.78 -47.63 45.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.3 109.551 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.481 ' OE1' HG13 ' A' ' 82' ' ' VAL . 6.4 tp-100 -50.98 -51.11 56.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.676 -1.147 . . . . 0.74 112.153 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.59 -34.19 67.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.949 0.404 . . . . 0.47 111.326 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.474 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.3 mm100 -73.72 -40.36 63.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.32 112.183 -174.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.13 -38.17 81.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 1.06 110.568 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.14 -41.34 99.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 1.44 110.338 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.7 m -61.99 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 1.7 110.621 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -65.43 -46.36 80.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.469 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 46.4 mtp -56.32 -52.51 64.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.98 111.291 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -73.4 -17.58 61.25 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.847 -0.615 . . . . 1.93 111.658 -174.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -71.0 -46.4 62.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.989 0.423 . . . . 0.56 111.002 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.312 -0.404 . . . . 2.18 111.549 -177.119 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' HG11 ' A' ' 20' ' ' VAL . 27.8 ttm180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 110.337 -0.246 . . . . 2.45 110.337 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.1 mtt -56.07 -35.7 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.833 0.825 . . . . 2.36 110.028 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.634 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 22.0 tptt -72.64 -38.72 67.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.416 -1.266 . . . . 2.15 111.368 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.69 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 4.7 tmtp? -76.6 -41.05 47.56 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.071 -0.393 . . . . 1.66 111.216 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 16' ' ' ARG . 21.2 m -66.58 -30.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.413 -0.358 . . . . 1.04 110.817 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptm -67.63 -31.61 71.74 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.459 . . . . 3.23 109.804 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.69 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 32.7 mt-30 -66.05 -49.67 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 1.05 108.978 174.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.681 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 37.4 m-85 -64.2 -36.33 83.72 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.4 -0.818 . . . . 1.0 111.043 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 38.1 ttt180 -57.31 -44.29 84.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.71 110.082 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.17 -38.14 89.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 3.38 110.756 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' O ' ' HE2' ' A' ' 29' ' ' LYS . . . -77.18 -16.4 59.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.83 111.395 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.17 -18.28 18.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.07 -0.514 . . . . 1.07 110.773 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.665 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.9 m -75.95 104.85 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.47 . . . . 1.04 110.066 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.4 mptp? -146.26 165.4 29.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.449 -0.796 . . . . 1.44 109.568 -174.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -103.37 129.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 107.994 -1.113 . . . . 1.59 107.994 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' HH22 ' A' ' 114' ' ' ARG . 2.2 t -150.24 148.91 14.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.279 -0.419 . . . . 1.08 110.96 -168.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.81 117.1 33.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.862 -0.422 . . . . 1.38 109.862 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 39' ' ' SER . 19.7 mt -85.99 142.1 29.02 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.92 -0.582 . . . . 1.06 110.676 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.8 mtmt -142.48 105.43 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 1.44 110.064 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 4.6 t -169.01 -173.81 1.89 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.29 -0.414 . . . . 0.95 109.938 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -66.63 -9.76 39.05 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.128 0.49 . . . . 3.78 110.938 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 35' ' ' THR . 24.6 tp -65.73 -60.79 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.465 -0.939 . . . . 1.5 108.465 169.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 13.0 p90 178.64 178.19 0.43 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.023 -0.99 . . . . 1.26 109.726 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.9 p -126.57 101.33 6.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.315 -0.624 . . . . 0.69 109.315 170.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -155.18 163.25 40.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.934 -0.575 . . . . 2.08 110.511 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.0 m -87.84 122.11 31.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.945 -0.57 . . . . 1.06 109.816 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.5 174.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.764 -0.653 . . . . 1.05 109.697 -175.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -120.26 126.17 49.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.899 -0.778 . . . . 2.07 108.899 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.64 158.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 110.359 -0.237 . . . . 1.17 110.359 -172.393 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 54' ' ' GLN . 14.9 t 177.21 -171.43 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.571 -0.9 . . . . 0.99 108.571 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 28.4 p -136.04 167.69 20.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.643 -0.503 . . . . 0.68 109.643 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -71.34 171.69 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.443 -0.206 . . . . 1.18 110.443 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -63.44 -36.7 84.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.41 0.522 . . . . 2.59 112.41 -172.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.45 5.68 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.634 0.254 . . . . 0.71 111.369 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.91 70.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.43 112.595 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.63 -33.61 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.391 . . . . 1.99 110.91 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -120.99 148.29 44.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 1.49 111.395 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.439 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -101.53 119.97 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.85 -1.167 . . . . 1.06 107.85 166.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' A' ' 70' ' ' PRO . 3.4 pt20 -126.62 156.11 41.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.667 0.27 . . . . 2.12 110.552 -171.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -141.92 149.03 39.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.622 0.725 . . . . 0.35 112.038 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 70' ' ' PRO . 58.7 m-85 -108.41 102.54 11.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.845 -1.07 . . . . 0.71 109.241 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HE2' ' OG ' ' A' ' 71' ' ' SER . 46.6 mtmt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 1.77 111.126 -175.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.454 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 60.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 CA-C-O 120.906 0.294 . . . . 0.74 112.217 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.468 ' OG ' ' HE2' ' A' ' 57' ' ' LYS . 4.8 t -109.34 23.02 15.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.82 0.819 . . . . 1.28 109.399 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.6 154.36 8.08 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.946 -1.024 . . . . 0.3 110.612 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.86 165.24 29.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.247 -0.978 . . . . 0.4 112.995 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.628 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -151.7 153.4 31.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.057 -0.349 . . . . 0.27 110.057 178.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.29 136.73 38.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.865 2.377 . . . . 0.27 112.565 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 53' ' ' VAL . 84.3 t -65.03 -38.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.049 -0.978 . . . . 1.09 111.668 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.03 -13.06 62.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.396 0.617 . . . . 1.29 110.665 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -100.08 -5.99 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 2.13 111.72 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.628 HG12 ' CE2' ' A' ' 74' ' ' PHE . 13.8 mt -64.86 125.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.647 -0.501 . . . . 1.06 109.647 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.487 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.7 t -87.09 -34.97 18.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.698 -0.401 . . . . 1.06 110.933 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.437 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 73.8 m -160.22 131.09 5.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.887 0.375 . . . . 1.1 111.711 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.514 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.1 t -111.08 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.047 -1.094 . . . . 2.0 108.047 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -132.32 166.82 21.06 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.482 -0.781 . . . . 2.27 110.344 -171.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -114.73 153.99 29.3 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.504 -0.554 . . . . 1.11 109.504 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.56 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.72 -174.39 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.279 0.474 . . . . 0.47 112.279 -178.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.24 70.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.068 -0.253 . . . . 1.34 110.934 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.03 -25.64 11.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.638 -0.505 . . . . 1.59 109.638 176.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.56 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.9 p-10 32.75 43.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.114 1.524 . . . . 1.77 115.114 170.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.1 m -56.98 -65.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.176 -0.61 . . . . 1.26 109.557 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 16.0 ptpt -113.76 12.5 18.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.316 -0.402 . . . . 2.03 111.211 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.49 HG13 ' NE2' ' A' ' 85' ' ' GLN . 3.3 t -109.08 105.29 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 1.15 112.231 -170.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 5.0 mp -98.38 151.29 20.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.909 -0.587 . . . . 1.07 110.493 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.587 HG23 ' CG2' ' A' ' 103' ' ' THR . 1.8 p -133.02 109.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.779 0.799 . . . . 1.11 110.802 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.1 mp -120.04 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.572 -0.74 . . . . 1.07 110.201 -177.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 143.52 46.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.848 0.356 . . . . 0.98 110.249 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.8 p -118.67 142.64 32.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.243 -0.435 . . . . 1.06 110.631 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.487 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 19.4 t-20 -131.28 95.78 3.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.178 0.513 . . . . 2.46 111.276 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.585 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.4 t30 168.22 -54.46 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.045 -1.434 . . . . 0.81 107.804 172.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 31.9 Cg_exo -60.79 172.95 2.49 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.837 1.692 . . . . 0.47 109.872 153.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.5 130.04 89.76 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.003 -0.74 . . . . 2.5 109.003 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.8 111.68 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.634 2.223 . . . . 0.81 112.417 -173.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 m -137.37 139.49 40.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.257 -0.883 . . . . 1.07 109.643 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.587 ' CG2' HG23 ' A' ' 93' ' ' VAL . 65.7 m -115.76 109.33 17.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.285 0.564 . . . . 1.03 110.523 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -90.33 122.54 33.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.656 -0.702 . . . . 0.98 110.469 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.99 105.27 15.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.621 -0.511 . . . . 0.46 109.621 177.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -84.58 109.68 18.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.498 -0.556 . . . . 0.48 109.498 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.547 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 8.6 m -121.02 136.01 55.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.831 -0.622 . . . . 1.18 111.099 -175.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 114' ' ' ARG . 8.6 t80 -141.73 172.02 13.26 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 0.45 109.86 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 5.7 tmmm? -66.17 -28.82 69.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.411 0.624 . . . . 2.48 109.59 175.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.543 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 34.0 t -96.49 113.12 62.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 1.12 110.067 -174.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 33.0 Cg_exo -61.7 -35.87 77.7 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.559 2.173 . . . . 1.09 111.453 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.31 76.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.63 111.843 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 5.7 tp10 -63.14 -51.36 66.76 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.404 0.621 . . . . 1.14 110.008 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.672 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -70.83 -37.03 73.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.379 -0.828 . . . . 3.42 111.563 -179.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 54.1 mt-10 -59.25 -43.99 92.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.731 -0.387 . . . . 1.68 110.73 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.2 m -67.07 -35.2 79.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.958 -0.564 . . . . 1.44 110.791 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.25 -46.23 71.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.3 109.86 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.514 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.2 tp-100 -53.35 -47.09 69.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.908 -1.042 . . . . 0.74 111.913 -178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.41 -37.77 60.27 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.765 0.283 . . . . 0.47 111.765 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.9 mm100 -63.09 -47.57 82.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.778 0.323 . . . . 0.32 111.863 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.07 -38.4 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 1.06 111.136 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.21 -38.33 90.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.322 -0.399 . . . . 1.44 110.668 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 m -65.97 -37.24 85.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 1.7 110.621 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -66.57 -43.1 85.92 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.619 -0.511 . . . . 1.05 109.619 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.442 ' SD ' HG23 ' A' ' 82' ' ' VAL . 44.7 mtp -59.78 -50.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.98 111.013 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -69.23 -18.24 63.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.934 -0.575 . . . . 1.93 111.2 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.405 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 72.4 t80 -71.66 -52.23 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.025 -0.534 . . . . 0.56 111.531 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 2.18 111.914 -172.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' HG12 ' A' ' 20' ' ' VAL . 50.7 ttt180 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 110.407 -0.219 . . . . 2.45 110.407 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -56.75 -41.79 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.405 -0.361 . . . . 2.36 111.26 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.7 ptpt -74.53 -34.7 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.448 -0.501 . . . . 2.15 110.2 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.7 tmtp? -74.27 -38.5 63.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 1.66 111.392 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 16' ' ' ARG . 32.4 m -66.51 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 110.286 -0.264 . . . . 1.04 110.286 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.6 mmm -64.88 -31.92 73.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.761 0.315 . . . . 3.23 110.541 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.613 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.4 mt-30 -66.62 -46.65 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.34 -0.615 . . . . 1.05 109.34 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CD1' HD21 ' A' ' 124' ' ' LEU . 54.0 m-85 -65.83 -36.55 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.489 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 39.6 ttt180 -57.52 -40.24 78.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.098 -0.956 . . . . 0.71 111.274 -177.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -65.75 -35.99 82.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.333 -0.394 . . . . 3.38 111.174 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 -13.75 59.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.284 0.564 . . . . 0.83 110.744 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.28 -12.66 20.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.342 -0.844 . . . . 1.07 110.994 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.695 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 78.1 m -95.36 103.95 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 1.04 111.404 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.8 173.99 15.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.294 -0.866 . . . . 1.44 112.991 -176.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -98.07 124.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.064 -0.971 . . . . 1.59 108.715 171.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 106' ' ' PHE . 1.2 t -149.05 148.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.77 -0.456 . . . . 1.08 109.77 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.4 tmtp? -102.6 118.49 36.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.105 0.478 . . . . 1.38 110.571 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' A' ' 39' ' ' SER . 25.6 mt -85.72 141.96 29.34 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.778 -0.647 . . . . 1.06 110.677 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.5 mtmt -143.69 106.29 4.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.615 -0.721 . . . . 1.44 109.976 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 37' ' ' LEU . 3.4 t -168.77 -166.89 0.7 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.786 -0.45 . . . . 0.95 109.786 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -68.47 -13.01 62.01 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.571 0.7 . . . . 3.78 110.102 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HB3' HG22 ' A' ' 35' ' ' THR . 19.3 tp -64.92 -59.93 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.007 -0.997 . . . . 1.5 108.913 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.2 p90 174.81 -178.49 0.1 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.052 -0.976 . . . . 1.26 109.207 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.592 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 24.8 p -130.63 100.49 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.425 -0.583 . . . . 0.69 109.425 171.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 10.3 mm-40 -155.22 159.24 39.92 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.961 -0.563 . . . . 2.08 109.748 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 87.3 m -83.02 123.74 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.994 0.426 . . . . 1.06 109.919 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.66 156.45 35.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.842 -0.617 . . . . 1.05 109.823 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 37.2 ttpt -101.06 123.47 45.29 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.672 -0.492 . . . . 2.07 109.672 173.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.695 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.0 158.29 4.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.273 -0.421 . . . . 1.17 110.762 -174.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -176.36 -172.02 0.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.698 -0.853 . . . . 0.99 108.698 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -142.83 167.73 21.39 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.975 -0.29 . . . . 0.68 110.564 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.468 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 14.1 t -58.1 158.49 6.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 1.18 111.382 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -65.33 -20.94 66.63 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.66 -0.7 . . . . 2.59 111.02 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -108.23 9.01 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.71 110.538 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.17 23.94 68.41 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.43 112.727 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' HA ' ' HE1' ' A' ' 128' ' ' MET . 35.4 mt-10 -83.77 -26.84 29.31 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.651 -0.323 . . . . 1.99 111.666 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 47' ' ' SER . 41.9 mt-10 -132.87 156.02 47.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.436 -0.347 . . . . 1.49 111.393 -175.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.8 t -111.43 122.95 66.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.266 -1.013 . . . . 1.06 108.266 168.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 2.6 mm-40 -118.39 161.52 19.82 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.348 -0.242 . . . . 2.12 110.348 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.496 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 11.4 p90 -148.34 149.36 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.551 0.691 . . . . 0.35 111.711 172.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 68.8 m-85 -114.77 114.13 25.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.008 -0.996 . . . . 0.71 109.205 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.77 111.46 -171.586 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 9.6 Cg_exo . . . . . 0 N--CA 1.462 -0.379 0 CA-C-O 121.008 0.337 . . . . 0.74 112.059 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -93.98 3.27 55.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.567 0.699 . . . . 1.28 109.24 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.14 160.72 22.86 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 110.163 -1.175 . . . . 0.3 110.163 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.19 168.36 27.22 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.235 -0.983 . . . . 0.4 112.732 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.622 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -158.37 154.58 23.92 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.89 -0.411 . . . . 0.27 109.89 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.1 Cg_exo -68.09 138.66 44.33 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.693 2.262 . . . . 0.27 112.315 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.79 -37.52 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.022 -0.99 . . . . 1.09 111.034 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.84 -22.83 64.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.767 -0.651 . . . . 1.29 110.714 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.44 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -87.69 -8.43 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 2.13 111.895 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.622 HG12 ' CE2' ' A' ' 74' ' ' PHE . 27.1 mt -63.39 123.0 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.822 -0.436 . . . . 1.06 109.822 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.466 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 15.2 t -87.45 -33.96 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.62 -0.432 . . . . 1.06 110.904 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m -158.93 135.41 9.28 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.341 . . . . 1.1 111.626 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.423 HG13 ' OE1' ' A' ' 118' ' ' GLN . 79.0 t -118.67 107.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.178 -1.045 . . . . 2.0 108.178 171.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HG3' HG13 ' A' ' 93' ' ' VAL . 13.2 pttt -132.2 168.3 18.28 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.348 -0.842 . . . . 2.27 111.085 -172.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.5 p -122.94 154.3 38.56 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.719 -0.673 . . . . 1.11 109.474 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.59 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.29 -176.02 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.961 0.726 . . . . 0.47 112.961 -174.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.96 90.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 1.34 111.077 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.14 -24.57 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 1.59 109.118 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.59 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.6 p-10 37.21 51.69 1.1 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.447 -1.252 . . . . 1.77 113.172 174.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.1 m -52.38 -66.83 0.32 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.594 -0.521 . . . . 1.26 109.594 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.558 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 15.4 ptpt -115.01 1.44 13.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.939 -0.573 . . . . 2.03 112.394 173.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.497 HG11 ' NE2' ' A' ' 85' ' ' GLN . 12.4 t -99.46 123.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.879 0.696 . . . . 1.15 112.879 -170.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.5 mp -106.2 151.83 24.26 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.919 -0.582 . . . . 1.07 110.022 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -134.32 111.94 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.654 0.74 . . . . 1.11 110.711 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 93' ' ' VAL . 1.9 mp -123.01 131.8 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.138 -0.483 . . . . 1.07 109.786 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -123.66 142.64 50.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.987 0.422 . . . . 0.98 110.499 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.429 HG21 ' HD2' ' A' ' 99' ' ' PRO . 2.2 p -118.76 144.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.128 -0.487 . . . . 1.06 110.213 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.466 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 44.6 t-20 -131.67 96.65 4.01 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.459 -0.497 . . . . 2.46 111.587 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.615 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 163.06 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.149 1.38 . . . . 0.81 108.504 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 49.7 Cg_exo -59.07 171.0 2.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.907 1.738 . . . . 0.47 110.302 159.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.18 116.22 18.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.882 -0.414 . . . . 2.5 109.882 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.28 116.35 0.46 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.187 3.258 . . . . 0.81 114.014 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -145.93 135.28 22.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.437 -0.801 . . . . 1.07 109.584 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 86.3 m -112.08 113.3 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.193 0.52 . . . . 1.03 110.103 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -93.57 126.64 38.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.605 -0.725 . . . . 0.98 111.095 -172.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -100.97 103.48 14.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.277 -0.638 . . . . 0.46 109.277 174.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HB3' HG12 ' A' ' 31' ' ' VAL . 89.0 m-85 -84.94 108.95 17.82 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.744 -0.835 . . . . 0.48 108.744 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 139.02 54.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.259 -0.428 . . . . 1.18 110.921 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -139.5 167.73 21.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.211 -0.663 . . . . 0.45 109.211 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.493 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -66.18 -42.37 88.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.944 -0.761 . . . . 2.48 108.944 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.429 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 10.9 t -81.01 112.45 32.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.225 -0.898 . . . . 1.12 110.278 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.505 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 9.9 Cg_endo -55.28 -41.15 81.2 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.496 2.131 . . . . 1.09 111.726 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.1 72.47 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.836 -0.697 . . . . 0.63 112.471 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.2 tp10 -66.84 -53.1 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.392 . . . . 1.14 110.725 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.596 ' NH1' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -74.31 -28.85 61.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 3.42 111.203 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.596 ' HG2' ' NH1' ' A' ' 114' ' ' ARG . 51.8 mm-40 -54.04 -48.47 70.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.563 0.22 . . . . 1.68 110.911 172.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 42.0 m -57.87 -32.62 67.85 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.825 -0.625 . . . . 1.44 110.945 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.508 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.63 -52.72 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.867 0.365 . . . . 0.3 110.604 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.428 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.6 tp-100 -51.82 -49.03 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.35 -0.841 . . . . 0.74 112.12 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.8 pt-20 -74.58 -39.44 62.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.777 0.322 . . . . 0.47 111.814 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 116' ' ' SER . 7.4 mm100 -73.42 -37.91 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.645 0.609 . . . . 0.32 112.645 -172.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.1 tp -61.85 -38.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.663 0.268 . . . . 1.06 110.393 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -63.81 -42.56 97.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.44 110.383 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 m -63.05 -35.64 80.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.7 110.74 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -70.99 -43.95 66.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 1.05 110.114 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.409 ' SD ' HG23 ' A' ' 82' ' ' VAL . 48.2 mtp -57.6 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.98 111.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.85 -19.79 62.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.938 -0.573 . . . . 1.93 110.751 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.93 -55.85 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.56 111.301 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.409 ' HE1' ' HA ' ' A' ' 51' ' ' GLU . 4.2 ppp? . . . . . 0 C--N 1.324 -0.512 0 C-N-CA 120.816 -0.354 . . . . 2.18 111.366 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' O ' HG11 ' A' ' 20' ' ' VAL . 16.6 ttm180 . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 110.646 -0.131 . . . . 2.45 110.646 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.472 ' O ' ' HG2' ' A' ' 21' ' ' MET . 64.1 mtt -57.08 -38.94 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.732 0.301 . . . . 2.36 110.973 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.9 ptpt -74.58 -38.52 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.458 -0.497 . . . . 2.15 110.544 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.5 tmtp? -69.4 -40.52 77.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 1.66 110.629 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG11 ' O ' ' A' ' 16' ' ' ARG . 24.7 m -65.44 -31.46 53.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.381 -0.372 . . . . 1.04 110.458 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 17' ' ' MET . 24.2 mmt -65.57 -34.67 78.78 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.707 0.289 . . . . 3.23 110.292 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.668 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.6 mt-30 -64.98 -46.87 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.163 -0.68 . . . . 1.05 109.163 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.67 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 45.8 m-85 -64.12 -38.92 92.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.501 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 34.1 ttt180 -57.71 -40.85 80.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.446 -0.797 . . . . 0.71 111.149 -176.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.8 -34.09 76.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.017 0.437 . . . . 3.38 111.013 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -80.28 -13.17 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.329 0.585 . . . . 0.83 110.559 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.52 -13.55 19.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.502 -0.772 . . . . 1.07 110.902 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 60.7 m -91.19 104.63 17.16 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.569 0.7 . . . . 1.04 111.403 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.63 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.55 173.37 16.4 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.841 -1.072 . . . . 1.44 111.545 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 m -98.95 124.2 52.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.419 -0.956 . . . . 1.59 108.419 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.42 148.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.62 -0.718 . . . . 1.08 109.753 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.6 tmtt? -102.45 118.16 36.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.119 0.485 . . . . 1.38 110.481 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.697 ' O ' ' HA ' ' A' ' 39' ' ' SER . 26.8 mt -85.9 143.87 27.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 1.06 110.687 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 30.0 mtmt -144.47 106.65 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.896 -0.593 . . . . 1.44 110.083 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 37' ' ' LEU . 5.4 t -169.29 -165.81 0.56 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.956 -0.298 . . . . 0.95 110.515 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -63.08 -18.92 63.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.542 0.687 . . . . 3.78 110.084 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 37.4 tp -64.29 -64.86 0.77 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.658 -1.156 . . . . 1.5 109.472 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 10.2 p90 -179.83 -173.23 0.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.381 -0.827 . . . . 1.26 109.032 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.697 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 9.4 p -136.81 99.42 4.03 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.81 -0.441 . . . . 0.69 109.81 172.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -152.03 157.05 41.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 2.08 109.672 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m -81.84 115.69 21.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.189 0.519 . . . . 1.06 110.168 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.14 161.4 15.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.741 -0.663 . . . . 1.05 109.866 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -102.45 122.97 45.36 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.164 -0.68 . . . . 2.07 109.164 172.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.753 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.49 159.1 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.371 -0.377 . . . . 1.17 110.546 -174.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t -176.53 -169.72 0.3 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.248 -1.019 . . . . 0.99 108.248 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 31.8 p -140.94 174.4 10.55 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.805 -0.358 . . . . 0.68 110.407 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 t -62.16 163.42 8.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.201 0.524 . . . . 1.18 110.706 176.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -73.6 -15.89 61.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.559 -0.746 . . . . 2.59 110.292 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -104.13 0.47 29.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.71 109.708 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' HD13 ' A' ' 124' ' ' LEU . . . 71.63 6.73 63.38 Favored Glycine 0 C--O 1.222 -0.648 0 CA-C-N 115.645 -0.707 . . . . 0.43 112.845 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 46.6 mt-10 -82.56 -7.58 59.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.328 0.492 . . . . 1.99 112.328 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 47' ' ' SER . 24.4 mt-10 -142.95 147.84 35.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.692 -0.231 . . . . 1.49 110.937 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.4 t -100.55 138.54 24.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.877 -1.157 . . . . 1.06 107.877 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . 2.7 pt20 -148.28 150.08 33.02 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.953 -0.299 . . . . 2.12 110.269 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -141.85 162.02 36.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.403 0.621 . . . . 0.35 111.551 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 38.2 m-85 -118.89 126.3 51.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.863 -1.062 . . . . 0.71 108.914 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.189 0.518 . . . . 1.77 111.683 -171.211 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.541 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 12.0 Cg_exo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 121.327 0.47 . . . . 0.74 113.127 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -91.44 -10.11 42.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.323 -0.853 . . . . 1.28 110.302 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 178.8 47.6 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.066 -0.814 . . . . 0.3 111.066 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.24 -176.26 27.15 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.384 -0.912 . . . . 0.4 112.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CE2' HG12 ' A' ' 79' ' ' ILE . 1.7 p90 -167.07 157.25 10.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 122.352 0.261 . . . . 0.27 110.35 -175.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.9 137.2 40.76 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.27 112.681 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 55.7 t -66.76 -35.26 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.245 -0.889 . . . . 1.09 111.549 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.8 -17.95 64.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.188 0.518 . . . . 1.29 110.746 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.37 -5.75 42.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 2.13 111.951 -176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 74' ' ' PHE . 12.0 mt -64.09 116.54 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.437 -0.579 . . . . 1.06 109.437 175.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.493 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 t -82.75 -33.51 27.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.648 -0.421 . . . . 1.06 110.905 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 m -159.89 131.53 6.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.86 0.362 . . . . 1.1 111.573 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.453 HG11 ' OE1' ' A' ' 118' ' ' GLN . 74.1 t -110.28 107.82 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.449 -0.945 . . . . 2.0 108.449 171.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HB2' HG13 ' A' ' 93' ' ' VAL . 8.5 mtpp -126.95 166.75 16.94 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.35 -0.841 . . . . 2.27 111.298 -171.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 p -119.12 154.57 33.03 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.639 -0.874 . . . . 1.11 108.639 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.592 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -58.86 177.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.334 0.494 . . . . 0.47 112.334 -175.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.65 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.59 0.233 . . . . 1.34 111.176 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.67 -22.96 10.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.566 -0.531 . . . . 1.59 109.566 174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.592 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.5 p30 37.5 55.37 1.44 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.591 -1.186 . . . . 1.77 113.644 171.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.1 m -56.73 -67.07 0.34 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.454 -0.498 . . . . 1.26 109.901 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.469 ' O ' HG22 ' A' ' 107' ' ' THR . 18.7 ptmt -114.44 4.48 15.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.244 -0.434 . . . . 2.03 112.112 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.6 134.6 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.67 0.618 . . . . 1.15 112.67 -170.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.9 mp -114.95 152.22 32.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.274 0.63 . . . . 1.07 109.833 174.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.4 p -134.05 109.43 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.577 0.703 . . . . 1.11 111.018 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.0 mp -120.93 125.09 73.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 1.07 110.404 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 m -114.8 142.5 46.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 0.98 110.536 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.555 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.2 p -120.13 142.7 34.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 1.06 110.972 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.493 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 27.0 t-20 -117.96 140.44 49.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.328 -0.396 . . . . 2.46 110.428 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.505 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 9.2 t30 100.71 -58.34 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.58 1.552 . . . . 0.81 111.432 -177.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 51.8 Cg_exo -58.69 170.85 2.3 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.482 1.455 . . . . 0.47 111.142 162.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -60.71 115.78 15.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.38 -0.6 . . . . 2.5 109.38 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.72 112.78 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.411 2.741 . . . . 0.81 113.108 -172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -143.79 140.06 29.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.295 -0.866 . . . . 1.07 109.121 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 93' ' ' VAL . 97.7 m -116.43 108.64 16.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.307 0.575 . . . . 1.03 109.878 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -89.47 123.18 33.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.596 -0.729 . . . . 0.98 110.971 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.565 ' N ' HD21 ' A' ' 105' ' ' ASN . 0.7 OUTLIER -100.07 103.67 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.554 -0.535 . . . . 0.46 109.554 177.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.0 109.82 18.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.118 -0.697 . . . . 0.48 109.118 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.495 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 28.4 m -122.18 138.01 54.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.863 -0.608 . . . . 1.18 110.728 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -141.25 165.22 28.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.868 -0.419 . . . . 0.45 109.868 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.91 -25.78 67.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.099 0.476 . . . . 2.48 110.201 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 23.2 t -98.72 109.81 54.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.669 . . . . 1.12 110.153 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 110' ' ' SER . 6.7 Cg_endo -50.87 -39.61 58.36 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.805 2.337 . . . . 1.09 111.886 172.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.95 81.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.542 -0.837 . . . . 0.63 112.41 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -52.61 61.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 1.14 111.46 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.567 ' NH1' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -72.31 -36.02 68.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.58 -0.448 . . . . 3.42 110.867 -176.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.567 ' HG3' ' NH1' ' A' ' 114' ' ' ARG . 23.7 mt-10 -58.02 -41.46 83.19 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.846 -0.342 . . . . 1.68 110.734 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 m -59.01 -33.79 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 120.852 0.358 . . . . 1.44 110.386 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.537 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -72.1 -49.31 37.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 0.3 109.853 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.453 ' OE1' HG11 ' A' ' 82' ' ' VAL . 6.9 tp-100 -51.26 -50.25 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.759 -1.109 . . . . 0.74 112.14 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.62 -41.61 60.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.806 0.336 . . . . 0.47 111.731 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 6.4 mm100 -68.61 -38.49 80.64 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.309 0.485 . . . . 0.32 112.309 -173.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.5 tp -62.74 -37.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.035 -0.266 . . . . 1.06 110.438 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.444 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.8 mt-30 -68.24 -38.84 82.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.43 . . . . 1.44 110.428 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.8 t -62.23 -37.98 87.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.65 -0.704 . . . . 1.7 110.069 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 23' ' ' TYR . 2.5 tm? -68.38 -47.97 65.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 1.05 110.296 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 122' ' ' GLN . 46.1 mtp -53.35 -52.51 58.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.98 111.491 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.75 -26.76 60.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.122 -0.49 . . . . 1.93 111.268 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.61 -42.42 92.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.832 0.348 . . . . 0.56 110.234 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 9.8 ptm . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.445 -0.343 . . . . 2.18 111.039 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.5 ttm180 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 110.288 -0.264 . . . . 2.45 110.288 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.8 mtp -56.02 -39.11 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.608 0.242 . . . . 2.36 111.319 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 12.4 ptpt -75.77 -34.02 60.23 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.416 -0.513 . . . . 2.15 110.673 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tmtp? -75.44 -39.56 58.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.725 0.297 . . . . 1.66 111.323 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 49' ' ' ASP . 33.1 m -65.34 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.418 -0.355 . . . . 1.04 110.943 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 20.9 ptt? -71.22 -28.58 64.3 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 3.23 109.991 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 36.0 mt-30 -66.28 -49.89 65.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.013 -0.736 . . . . 1.05 109.013 172.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 47.4 m-85 -61.76 -31.22 71.39 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.312 175.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -61.02 -38.61 86.72 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.679 -0.691 . . . . 0.71 110.856 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' A' ' 21' ' ' MET . 2.3 mpp_? -64.67 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.097 0.475 . . . . 3.38 110.394 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -84.24 -15.58 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.83 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -100.02 -13.87 18.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.822 -0.626 . . . . 1.07 110.633 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.546 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 91.9 m -83.03 104.8 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.568 -0.53 . . . . 1.04 109.568 175.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -147.64 164.81 32.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.697 -0.683 . . . . 1.44 110.182 -174.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -103.17 127.27 57.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.725 -0.843 . . . . 1.59 108.725 170.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.63 160.23 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 1.08 110.27 -172.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -113.31 124.7 53.11 Favored 'General case' 0 C--N 1.313 -1.007 0 O-C-N 121.921 -0.487 . . . . 1.38 110.194 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.633 ' O ' ' HA ' ' A' ' 39' ' ' SER . 23.9 mt -90.34 142.61 27.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.06 111.255 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 32.8 mtmt -144.41 106.4 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 1.44 109.92 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.429 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.5 t -169.45 -166.59 0.61 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 121.073 -0.251 . . . . 0.95 110.554 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.89 -14.45 62.78 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.541 0.686 . . . . 3.78 110.144 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 24.8 tp -65.57 -64.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.036 -0.983 . . . . 1.5 109.192 172.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.531 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 178.62 -175.99 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.23 -0.895 . . . . 1.26 109.176 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.55 101.23 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 0.69 109.599 171.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -153.24 159.31 42.58 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.274 -0.421 . . . . 2.08 109.965 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 26.3 m -83.35 124.49 30.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.496 -0.557 . . . . 1.06 109.496 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.84 153.9 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.908 -0.587 . . . . 1.05 109.828 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 29.8 ttmt -100.11 119.63 38.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.029 -0.73 . . . . 2.07 109.029 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.15 156.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.133 0.492 . . . . 1.17 110.726 -174.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -174.17 -172.22 0.68 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.988 -1.005 . . . . 0.99 108.438 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.7 p -129.15 169.66 14.5 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.698 -0.401 . . . . 0.68 110.431 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 52' ' ' GLU . 27.6 t -63.36 165.9 7.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 1.18 110.53 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.963 0.411 . . . . 2.59 110.25 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' C ' HG23 ' A' ' 20' ' ' VAL . 3.2 m-20 -94.73 -0.99 53.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.71 110.136 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.28 4.47 73.81 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.963 -0.562 . . . . 0.43 112.624 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -73.38 1.07 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.025 0.38 . . . . 1.99 112.025 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 47' ' ' SER . 20.7 tt0 -153.62 150.87 29.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.936 -0.306 . . . . 1.49 111.657 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.98 115.69 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.961 -1.126 . . . . 1.06 107.961 167.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.03 161.51 27.39 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.507 0.194 . . . . 2.12 110.653 -171.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 6.0 p90 -147.65 156.72 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 0.35 112.516 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 63.2 m-85 -115.1 112.02 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.911 -1.04 . . . . 0.71 109.189 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.4 mttt . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 1.77 111.986 -170.595 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 7.6 Cg_exo . . . . . 0 N--CA 1.459 -0.509 0 CA-C-O 120.921 0.3 . . . . 0.74 111.826 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -100.15 4.54 44.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 1.28 109.384 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.83 176.89 39.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.665 -0.974 . . . . 0.3 110.665 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 151.63 157.65 8.0 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.124 -1.036 . . . . 0.4 113.049 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -138.44 150.98 68.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.802 -0.444 . . . . 0.27 109.802 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.58 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 24.1 Cg_exo -64.22 143.52 83.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.27 112.715 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.56 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 56.0 t -71.14 -38.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.981 -1.009 . . . . 1.09 111.925 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.13 -14.92 61.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 1.29 110.399 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -92.24 -5.89 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 2.13 111.363 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.646 HG12 ' CE2' ' A' ' 74' ' ' PHE . 20.9 mt -65.16 124.77 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.34 -0.615 . . . . 1.06 109.34 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.524 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.6 t -87.13 -30.52 21.01 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.617 -0.433 . . . . 1.06 111.016 -175.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.1 m -158.18 136.21 10.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 1.1 111.355 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 p -117.45 106.78 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.475 -0.935 . . . . 2.0 108.475 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HG3' HG13 ' A' ' 93' ' ' VAL . 14.9 pttt -135.27 168.06 19.88 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.142 -0.935 . . . . 2.27 111.312 -172.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -128.61 153.58 47.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.314 -0.857 . . . . 1.11 108.942 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.436 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.4 OUTLIER -60.86 167.26 2.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 0.47 111.183 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 1.34 111.886 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.52 -22.26 10.89 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.586 -0.524 . . . . 1.59 109.586 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.436 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.6 p30 37.97 53.52 1.59 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.102 -0.954 . . . . 1.77 112.987 175.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 90' ' ' LYS . 48.0 m -47.77 -71.05 0.08 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.598 -0.274 . . . . 1.26 110.814 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 91.7 mttt -116.22 8.54 14.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.54 0.209 . . . . 2.03 111.363 170.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 3.0 t -101.49 119.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.781 0.66 . . . . 1.15 112.781 -171.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 3.5 mp -105.69 152.22 23.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 1.07 109.792 171.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.462 HG13 ' HG3' ' A' ' 83' ' ' LYS . 2.3 p -137.6 113.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.447 0.642 . . . . 1.11 111.128 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -128.0 130.2 69.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.292 -0.413 . . . . 1.07 110.084 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -119.61 142.01 48.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.898 0.38 . . . . 0.98 110.734 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.49 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 1.5 p -118.84 140.74 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 1.06 110.876 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.524 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 18.2 t-20 -134.84 96.67 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.938 0.399 . . . . 2.46 111.517 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.61 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 164.87 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.195 1.398 . . . . 0.81 107.846 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.1 Cg_exo -64.27 172.05 6.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.726 1.617 . . . . 0.47 109.28 154.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.73 113.36 7.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.852 -0.425 . . . . 2.5 109.852 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -43.88 115.3 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.915 3.076 . . . . 0.81 113.727 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 m -138.08 145.64 41.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.159 -0.928 . . . . 1.07 109.357 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.6 m -117.49 110.76 18.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.063 0.459 . . . . 1.03 110.055 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -91.99 125.77 36.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.056 -0.52 . . . . 0.98 110.69 -174.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.6 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.03 106.39 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.652 -0.499 . . . . 0.46 109.652 176.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -84.87 111.36 19.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.529 -0.545 . . . . 0.48 109.529 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.563 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 17.8 m -120.28 138.54 53.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 1.18 110.238 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -140.46 178.42 7.33 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.768 -0.373 . . . . 0.45 110.062 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' O ' ' HE2' ' A' ' 90' ' ' LYS . 1.5 tmtp? -73.01 -38.9 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.21 -0.663 . . . . 2.48 109.21 174.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -84.32 124.3 73.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.301 -0.863 . . . . 1.12 111.036 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.569 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 16.0 Cg_exo -67.83 -24.35 40.46 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.409 2.073 . . . . 1.09 110.986 172.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.47 -38.81 10.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.89 -0.671 . . . . 0.63 112.786 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -56.25 -46.6 79.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.373 0.606 . . . . 1.14 111.108 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.676 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.2 OUTLIER -70.0 -40.12 75.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.463 -0.79 . . . . 3.42 110.733 -174.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 23.1 mt-10 -66.95 -35.0 78.99 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.633 0.254 . . . . 1.68 110.715 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -56.62 -38.24 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.402 -0.592 . . . . 1.44 109.402 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -46.65 54.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.3 110.113 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -55.42 -49.83 71.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.454 -0.794 . . . . 0.74 111.989 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 12.1 pt-20 -70.88 -32.88 70.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 0.47 111.263 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.49 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.6 mm100 -76.29 -42.34 45.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.32 112.332 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.9 tp -62.67 -35.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.464 -0.334 . . . . 1.06 110.131 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 43.7 mt-30 -56.75 -45.4 82.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.241 0.543 . . . . 1.44 110.071 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 m -67.41 -42.19 83.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.443 -0.799 . . . . 1.7 111.185 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -65.54 -47.06 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.073 -0.343 . . . . 1.05 110.073 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.56 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 40.2 mtp -54.88 -52.32 63.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.98 111.288 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -71.27 -32.66 68.95 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.32 -0.4 . . . . 1.93 110.801 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.401 ' HE1' ' HA ' ' A' ' 16' ' ' ARG . 86.9 t80 -53.65 -42.82 68.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.891 0.377 . . . . 0.56 111.138 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.0 ptm . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.449 -0.341 . . . . 2.18 111.758 -179.621 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttm180 . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.76 -0.089 . . . . 2.45 110.76 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.9 mtt -56.83 -40.33 75.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.573 -0.285 . . . . 2.36 111.061 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 25.5 pttt -76.06 -37.34 58.37 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.446 -0.501 . . . . 2.15 110.395 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.1 tmtp? -71.74 -37.07 70.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 1.66 110.678 -173.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.1 m -65.93 -31.3 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.253 -0.43 . . . . 1.04 110.21 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.3 mmm -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 3.23 110.489 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.593 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 44.2 mt-30 -66.94 -47.06 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.119 -0.697 . . . . 1.05 109.119 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CD1' HD21 ' A' ' 124' ' ' LEU . 48.9 m-85 -63.63 -33.83 76.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.506 -0.77 . . . . 1.0 110.584 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 43.7 ttt180 -61.05 -41.2 96.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.675 -0.693 . . . . 0.71 110.886 -176.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.981 0.42 . . . . 3.38 110.287 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -78.26 -24.04 47.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.845 -0.616 . . . . 0.83 110.906 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 46' ' ' CYS . 1.5 mp -91.69 -18.69 23.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 1.07 110.51 177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 86.6 m -75.81 106.12 7.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.226 -0.657 . . . . 1.04 109.226 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 169.78 21.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.107 -0.497 . . . . 1.44 110.149 -175.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.02 125.65 63.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.859 -0.793 . . . . 1.59 108.859 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.26 149.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.818 0.342 . . . . 1.08 110.672 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.0 tmtt? -99.33 118.0 35.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.999 0.428 . . . . 1.38 110.253 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.2 mt -85.96 144.21 27.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 1.06 110.909 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -143.03 106.28 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.68 -0.691 . . . . 1.44 109.527 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 3.7 t -169.04 -169.43 0.97 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.162 -0.31 . . . . 0.95 110.162 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.04 -15.51 59.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.317 0.58 . . . . 3.78 110.395 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 35' ' ' THR . 50.6 tp -64.84 -57.58 8.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.27 -0.877 . . . . 1.5 108.91 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 170.54 -169.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 124.154 0.909 . . . . 1.26 108.842 177.427 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.2 p -137.39 100.75 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.026 -0.361 . . . . 0.69 110.026 173.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.603 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.8 mm-40 -158.69 163.81 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.051 -0.522 . . . . 2.08 110.338 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 55.2 m -83.22 122.2 28.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.139 0.495 . . . . 1.06 110.614 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.55 164.95 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.718 -0.674 . . . . 1.05 109.73 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -109.3 121.78 45.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.906 -0.776 . . . . 2.07 108.906 171.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.72 160.94 3.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 110.174 -0.306 . . . . 1.17 110.174 -175.073 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -179.53 -173.04 0.24 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.859 -0.793 . . . . 0.99 108.859 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.519 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -134.15 164.27 27.73 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.567 -0.531 . . . . 0.68 109.567 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -72.92 172.31 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.273 -0.269 . . . . 1.18 110.273 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.66 -45.55 91.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.512 0.56 . . . . 2.59 112.512 -170.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.82 3.09 46.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.643 0.258 . . . . 0.71 110.967 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.13 -3.02 59.31 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 121.068 -0.587 . . . . 0.43 113.047 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.93 -28.48 69.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 1.99 111.876 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.85 149.96 49.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.878 0.325 . . . . 1.49 111.878 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.475 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 55.4 t -106.1 129.93 58.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.084 -1.08 . . . . 1.06 108.084 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -135.1 153.35 52.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.812 0.339 . . . . 2.12 110.572 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -143.19 154.64 44.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.807 0.813 . . . . 0.35 111.603 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.74 102.69 10.96 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.786 -1.097 . . . . 0.71 109.258 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.591 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 48.0 mtmt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.207 -0.451 . . . . 1.77 110.589 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.461 -0.41 0 CA-C-O 121.02 0.342 . . . . 0.74 111.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.6 t -106.81 13.66 27.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.637 0.732 . . . . 1.28 109.299 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.0 156.47 11.6 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.087 -0.961 . . . . 0.3 111.089 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.25 159.84 23.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.616 -0.802 . . . . 0.4 112.356 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -156.5 156.77 30.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.215 -0.291 . . . . 0.27 110.215 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 4.4 Cg_exo -72.24 139.99 33.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.731 2.287 . . . . 0.27 112.735 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.516 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 2.4 t -63.15 -40.6 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.635 -1.166 . . . . 1.09 112.334 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.43 -11.04 60.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.861 0.362 . . . . 1.29 111.358 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.459 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -95.46 -7.6 37.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 2.13 111.194 -178.384 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.695 HG12 ' CE2' ' A' ' 74' ' ' PHE . 25.0 mt -64.07 112.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.593 -0.521 . . . . 1.06 109.593 174.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.515 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 13.4 t -78.64 -29.19 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.497 -0.319 . . . . 1.06 111.032 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' HE2' ' A' ' 83' ' ' LYS . 64.6 m -157.72 131.21 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.893 0.378 . . . . 1.1 111.477 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.88 106.55 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.496 -0.927 . . . . 2.0 108.496 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -139.1 166.05 25.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.506 0.67 . . . . 2.27 111.292 -170.264 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 p -109.82 154.81 22.48 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.655 -0.869 . . . . 1.11 108.655 170.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.603 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -56.97 179.58 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.139 0.422 . . . . 0.47 112.139 -178.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.87 75.31 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.804 -0.359 . . . . 1.34 110.295 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.77 -26.12 14.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.306 0.574 . . . . 1.59 110.122 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.603 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.9 p-10 30.15 42.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 113.511 -1.677 . . . . 1.77 114.532 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.5 m -53.35 -68.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.761 0.315 . . . . 1.26 110.295 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 5.8 ptpp? -113.39 13.48 18.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.368 -0.378 . . . . 2.03 110.863 171.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 85' ' ' GLN . 2.3 t -111.44 128.09 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.857 0.688 . . . . 1.15 112.857 -169.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.4 mp -111.86 152.36 28.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.955 -0.566 . . . . 1.07 109.926 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.41 HG21 ' CG2' ' A' ' 103' ' ' THR . 2.4 p -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.76 0.791 . . . . 1.11 111.407 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.0 mp -119.96 131.71 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.715 . . . . 1.07 109.781 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -123.26 144.34 49.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.616 0.246 . . . . 0.98 110.492 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -118.52 146.57 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.512 -0.313 . . . . 1.06 111.284 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.515 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 26.6 t-20 -123.79 138.24 54.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.327 -0.397 . . . . 2.46 110.282 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.2 t30 102.33 -59.8 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.594 1.558 . . . . 0.81 111.069 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.5 172.37 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.494 1.463 . . . . 0.47 110.889 161.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.66 113.99 8.46 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.85 -0.426 . . . . 2.5 109.85 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.85 112.51 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.623 2.882 . . . . 0.81 113.105 -172.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -144.35 146.19 32.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.266 -0.879 . . . . 1.07 109.609 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.41 ' CG2' HG21 ' A' ' 93' ' ' VAL . 93.9 m -120.44 108.52 14.21 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.558 -0.534 . . . . 1.03 109.558 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -90.03 122.38 32.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.959 -0.564 . . . . 0.98 110.861 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.578 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.03 105.36 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.46 109.445 177.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -84.61 110.86 19.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.437 -0.579 . . . . 0.48 109.437 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.541 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 19.0 m -120.98 136.24 55.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.686 -0.688 . . . . 1.18 110.377 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -141.35 172.14 13.09 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.73 -0.388 . . . . 0.45 110.217 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.58 -42.26 78.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.2 0.524 . . . . 2.48 109.645 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -72.25 124.1 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.555 -0.748 . . . . 1.12 111.425 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.413 ' C ' HH21 ' A' ' 114' ' ' ARG . 13.0 Cg_exo -70.8 2.34 4.21 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.589 2.193 . . . . 1.09 111.751 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.99 -45.04 0.9 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.735 -0.745 . . . . 0.63 112.509 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.44 -45.18 55.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.582 0.586 . . . . 1.14 112.582 -171.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.67 -47.44 63.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.871 -0.604 . . . . 3.42 110.925 -172.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.75 -32.12 70.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.436 -0.347 . . . . 1.68 111.336 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.459 . . . . 1.44 109.824 170.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -72.49 -45.04 61.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.3 109.459 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.657 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.0 tp-100 -51.93 -50.26 61.51 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.033 -0.985 . . . . 0.74 112.242 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.56 -29.52 64.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.118 0.485 . . . . 0.47 111.051 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.1 mm100 -75.69 -45.53 36.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.103 -0.499 . . . . 0.32 111.753 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 125' ' ' MET . 6.8 tp -60.07 -44.31 94.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.501 -0.318 . . . . 1.06 110.76 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 8.1 pt20 -69.38 -31.57 70.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 1.44 110.874 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.4 m -71.33 -34.96 71.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.298 -0.41 . . . . 1.7 110.221 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -66.51 -45.35 79.83 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.292 -0.633 . . . . 1.05 109.292 174.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.516 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.5 mtp -54.17 -53.81 48.31 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.98 110.729 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -71.27 -28.28 64.03 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.553 -0.294 . . . . 1.93 111.13 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -55.08 -40.61 70.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.894 0.378 . . . . 0.56 110.823 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 2.18 111.475 178.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' O ' HG12 ' A' ' 20' ' ' VAL . 16.5 ttm180 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 120.283 0.087 . . . . 2.45 111.187 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.9 -38.62 82.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.707 0.289 . . . . 2.36 111.318 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 17.4 ptpt -75.59 -34.68 60.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.524 -0.471 . . . . 2.15 110.036 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.6 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.4 tmtp? -73.35 -39.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 1.66 111.104 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 16' ' ' ARG . 32.9 m -63.73 -31.17 52.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.605 -0.27 . . . . 1.04 110.316 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.021 0.438 . . . . 3.23 110.436 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.555 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 35.7 mt-30 -66.07 -40.29 90.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.795 -0.639 . . . . 1.05 109.591 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -70.6 -36.1 73.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.298 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 27.3 ttt180 -58.94 -42.11 89.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.71 110.891 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -65.44 -33.51 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.847 0.356 . . . . 3.38 110.786 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -17.3 50.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.288 0.566 . . . . 0.83 110.931 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.11 -14.24 21.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.899 -0.592 . . . . 1.07 110.725 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.4 m -84.77 105.79 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.144 0.497 . . . . 1.04 110.18 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.579 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.0 mptm? -150.6 171.14 17.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.384 -0.825 . . . . 1.44 109.417 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 108' ' ' PHE . 1.1 t -108.86 129.71 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 107.696 -1.224 . . . . 1.59 107.696 166.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.15 148.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.976 -0.556 . . . . 1.08 109.643 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 8.1 tmtt? -100.23 118.74 37.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.079 0.466 . . . . 1.38 110.619 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.712 ' O ' ' HA ' ' A' ' 39' ' ' SER . 21.0 mt -85.64 145.56 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.68 -0.691 . . . . 1.06 110.618 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.9 mtmt -145.96 106.6 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 1.44 109.889 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 37' ' ' LEU . 4.1 t -169.14 -168.29 0.82 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.267 -0.272 . . . . 0.95 110.267 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -60.27 -21.0 61.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.321 0.581 . . . . 3.78 110.254 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -64.35 -62.6 1.5 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 1.5 109.69 176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 177.88 -175.42 0.17 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.755 -0.657 . . . . 1.26 109.408 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.712 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 44.1 p -133.42 99.15 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.766 -0.457 . . . . 0.69 109.766 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 76.7 mm-40 -153.32 157.98 40.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.815 -0.439 . . . . 2.08 109.815 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 84.8 m -80.53 119.65 23.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 1.06 109.711 174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.43 152.51 20.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.465 -0.789 . . . . 1.05 109.213 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 40.3 ttpt -97.22 119.86 36.5 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.779 -0.822 . . . . 2.07 108.779 173.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.2 152.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.784 -0.45 . . . . 1.17 109.784 -173.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 t -171.38 -171.02 0.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.552 -0.907 . . . . 0.99 108.552 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.7 p -144.17 164.79 29.68 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.771 -0.372 . . . . 0.68 111.092 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 t -60.75 160.08 9.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.82 -0.627 . . . . 1.18 110.869 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.81 -13.3 62.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 2.59 112.105 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -110.43 8.2 23.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.04 0.448 . . . . 0.71 110.072 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.36 23.38 64.44 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.339 -0.846 . . . . 0.43 112.682 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.55 -12.17 54.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 1.99 111.436 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -149.79 148.01 28.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.798 -0.361 . . . . 1.49 111.06 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -109.13 126.41 66.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.763 -0.829 . . . . 1.06 108.763 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 5.0 mm-40 -120.4 159.79 24.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.549 0.214 . . . . 2.12 110.538 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.2 151.41 36.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.525 0.679 . . . . 0.35 111.377 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.753 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 54.3 m-85 -117.36 112.85 21.27 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.101 -0.954 . . . . 0.71 109.335 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.462 ' H ' ' HB3' ' A' ' 71' ' ' SER . 44.9 mtmt . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.252 -0.431 . . . . 1.77 111.391 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.753 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 8.3 Cg_exo . . . . . 0 N--CA 1.461 -0.397 0 CA-C-O 121.373 0.489 . . . . 0.74 112.68 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.462 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 7.9 t -104.42 17.24 24.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.662 -0.866 . . . . 1.28 108.662 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.03 162.71 11.01 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.845 -1.07 . . . . 0.3 110.801 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.93 -172.93 42.19 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.371 -0.918 . . . . 0.4 112.594 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -166.08 150.94 7.53 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.627 0.251 . . . . 0.27 110.357 179.319 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 17.3 Cg_exo -66.61 138.08 48.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.93 2.42 . . . . 0.27 112.464 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -39.26 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.974 -1.012 . . . . 1.09 111.513 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.28 -17.77 63.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.808 -0.633 . . . . 1.29 111.179 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.421 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 12.0 mptt -95.54 -5.53 42.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.193 -0.458 . . . . 2.13 111.691 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.637 HG12 ' CE2' ' A' ' 74' ' ' PHE . 26.4 mt -65.8 129.53 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.97 -0.752 . . . . 1.06 108.97 173.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.474 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 8.9 t -90.58 -40.43 11.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.105 -0.638 . . . . 1.06 111.249 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.9 m -158.94 138.15 11.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.774 0.321 . . . . 1.1 111.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.503 HG11 ' OE1' ' A' ' 118' ' ' GLN . 70.6 t -119.46 107.73 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.422 -0.584 . . . . 2.0 109.422 177.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 167.23 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.665 0.745 . . . . 2.27 111.51 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -111.4 155.55 22.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.186 -0.915 . . . . 1.11 108.738 171.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.489 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.71 -173.82 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.081 0.4 . . . . 0.47 112.081 -177.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.71 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.939 0.399 . . . . 1.34 110.519 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.8 -26.06 12.4 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.71 -0.478 . . . . 1.59 109.71 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.489 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.3 p-10 34.65 39.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.856 1.428 . . . . 1.77 114.856 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 53.4 m -57.24 -58.59 7.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.424 -0.51 . . . . 1.26 110.047 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 4.4 ptpp? -115.91 12.51 15.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 2.03 112.203 169.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.6 128.96 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.552 0.575 . . . . 1.15 112.552 -169.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.3 mp -117.39 152.08 35.71 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.029 -0.532 . . . . 1.07 109.979 174.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.416 ' C ' HD11 ' A' ' 94' ' ' ILE . 2.0 p -136.54 109.64 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.648 0.737 . . . . 1.11 111.349 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -122.91 132.51 71.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 1.07 110.451 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.6 m -121.4 145.02 48.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.98 110.739 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.9 p -119.54 140.85 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 1.06 110.466 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.474 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 20.0 t-20 -132.04 96.27 3.87 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.105 0.479 . . . . 2.46 111.783 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.7 t30 165.1 -55.23 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.605 0 CA-C-N 114.113 -1.403 . . . . 0.81 108.108 171.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.0 Cg_exo -60.64 172.72 2.57 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 121.82 1.68 . . . . 0.47 109.516 156.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.02 115.19 11.98 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.748 -0.464 . . . . 2.5 109.748 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.03 114.8 0.6 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.955 3.103 . . . . 0.81 113.378 -173.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -141.77 145.04 34.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.425 -0.807 . . . . 1.07 109.837 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 96.8 m -117.69 114.87 23.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.084 0.469 . . . . 1.03 110.066 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -95.5 129.12 42.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.838 -0.619 . . . . 0.98 110.736 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.85 105.47 15.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.46 109.329 175.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -83.91 110.49 18.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.943 -0.762 . . . . 0.48 108.943 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.576 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 29.8 m -120.88 134.04 55.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.7 -0.682 . . . . 1.18 110.412 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CE2' HG13 ' A' ' 30' ' ' VAL . 4.1 t80 -141.39 170.23 16.12 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.795 -0.446 . . . . 0.45 109.795 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.4 -48.92 68.55 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.491 1.138 . . . . 2.48 108.317 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 2.4 m -74.55 117.45 62.25 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 112.777 -2.01 . . . . 1.12 111.338 -172.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.86 -38.45 59.07 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.627 2.218 . . . . 1.09 111.925 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.6 -27.02 63.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.675 -0.774 . . . . 0.63 112.903 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 8.4 tp10 -63.41 -51.16 66.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 1.14 110.851 -174.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -71.2 -37.66 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.512 -0.767 . . . . 3.42 110.612 -175.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.501 ' HG3' ' NH2' ' A' ' 114' ' ' ARG . 38.9 mt-10 -64.7 -42.78 95.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.68 111.25 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -60.57 -33.73 73.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 1.44 110.055 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 -46.38 62.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.3 110.12 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.503 ' OE1' HG11 ' A' ' 82' ' ' VAL . 6.4 tp-100 -51.98 -48.78 64.22 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.214 -0.903 . . . . 0.74 112.265 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.62 -40.59 61.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.713 0.292 . . . . 0.47 111.441 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.24 -40.05 89.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.406 0.521 . . . . 0.32 112.406 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.56 -38.57 81.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.79 0.328 . . . . 1.06 110.395 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.34 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.44 110.255 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 m -62.09 -35.67 79.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 1.7 110.56 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.9 tm? -71.05 -45.9 62.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.05 110.049 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.407 ' SD ' HG23 ' A' ' 82' ' ' VAL . 44.9 mtp -58.59 -51.99 67.54 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.98 111.26 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -72.9 -17.94 61.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.931 -0.577 . . . . 1.93 111.255 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -71.52 -59.46 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.026 -0.533 . . . . 0.56 111.449 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.8 ppp? . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 2.18 111.599 -172.735 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttt180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.199 -0.297 . . . . 2.45 110.199 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.5 mtp -60.01 -39.38 85.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.312 . . . . 2.36 111.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.703 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.4 ptpp? -74.44 -33.17 62.87 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.073 -0.651 . . . . 2.15 110.898 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.696 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.8 tmtp? -74.5 -38.79 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.934 -0.479 . . . . 1.66 110.754 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.9 m -67.06 -31.75 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.686 -0.234 . . . . 1.04 111.077 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 15.8 ptp -70.19 -30.62 67.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.565 -0.454 . . . . 3.23 109.959 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.703 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 38.4 mt-30 -62.9 -50.44 70.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.035 -0.728 . . . . 1.05 109.035 172.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.696 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 41.1 m-85 -63.0 -35.46 80.28 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.401 -0.818 . . . . 1.0 110.471 177.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 42.8 ttt180 -58.4 -40.21 81.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.691 . . . . 0.71 110.58 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 21' ' ' MET . 85.1 mtt180 -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.209 0.528 . . . . 3.38 110.592 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -78.67 -13.02 60.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.83 111.194 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -20.93 15.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.792 -0.64 . . . . 1.07 110.758 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.609 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.8 m -76.86 105.28 7.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.133 0.492 . . . . 1.04 109.994 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -149.18 165.71 31.01 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.377 -0.828 . . . . 1.44 109.479 -175.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.36 125.77 56.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 107.993 -1.114 . . . . 1.59 107.993 169.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.13 149.57 15.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.205 -0.452 . . . . 1.08 110.409 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 10.0 tmtt? -101.9 121.09 41.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.985 0.421 . . . . 1.38 110.394 -178.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.8 mt -85.82 143.57 28.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.89 -0.595 . . . . 1.06 110.651 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 25.8 mtmt -146.04 106.03 4.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 1.44 109.853 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.509 HG21 ' HB3' ' A' ' 37' ' ' LEU . 4.7 t -169.36 -170.87 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.209 -0.293 . . . . 0.95 110.209 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -60.38 -18.92 53.59 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.264 0.554 . . . . 3.78 110.413 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -63.2 -66.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 1.5 108.876 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.513 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 2.8 p90 -178.46 -175.38 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.487 -0.778 . . . . 1.26 109.205 176.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 10.1 p -129.21 99.32 5.19 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.205 -0.665 . . . . 0.69 109.205 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -146.84 156.15 42.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.178 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 20.2 m -83.26 117.03 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.235 -0.654 . . . . 1.06 109.235 174.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -121.56 153.43 25.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.818 0.342 . . . . 1.05 110.351 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 26.0 ttpp -98.75 116.54 31.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.631 -0.878 . . . . 2.07 108.631 171.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.33 157.99 3.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.404 -0.362 . . . . 1.17 110.207 -175.139 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -178.97 -169.39 0.15 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.413 -0.812 . . . . 0.99 108.939 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 p -136.78 162.88 31.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.881 -0.414 . . . . 0.68 109.881 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 t -65.09 170.74 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.439 -0.346 . . . . 1.18 110.712 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.92 -47.96 81.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.929 0.344 . . . . 2.59 111.929 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.73 6.81 26.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.71 110.405 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.04 6.46 68.26 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.894 -0.593 . . . . 0.43 113.584 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -70.06 -24.79 63.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.683 0.623 . . . . 1.99 112.683 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 75' ' ' PRO . 14.1 mt-10 -134.83 150.19 50.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.148 0.425 . . . . 1.49 112.148 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.8 137.39 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.972 -1.122 . . . . 1.06 107.972 170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -137.1 158.66 43.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.04 -0.264 . . . . 2.12 110.717 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.59 151.65 36.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.571 0.7 . . . . 0.35 111.99 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -113.58 116.57 29.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.848 -1.069 . . . . 0.71 109.145 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.71 0.291 . . . . 1.77 111.314 -173.308 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 C--O 1.234 0.319 0 CA-C-O 121.017 0.34 . . . . 0.74 111.813 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -92.74 0.06 57.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.966 -0.561 . . . . 1.28 110.28 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.92 172.45 42.39 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.963 -0.637 . . . . 0.3 111.711 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 -177.27 35.42 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.831 -0.7 . . . . 0.4 112.322 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.664 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -162.43 158.66 20.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 110.307 -0.257 . . . . 0.27 110.307 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 52' ' ' GLU . 14.4 Cg_exo -69.53 135.73 31.76 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.449 . . . . 0.27 112.612 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' SD ' ' A' ' 128' ' ' MET . 78.6 t -64.17 -35.63 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.118 -0.947 . . . . 1.09 111.235 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.68 -13.5 62.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.612 -0.722 . . . . 1.29 110.96 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -103.55 -6.56 21.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.833 -0.621 . . . . 2.13 111.969 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.664 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.5 mt -64.32 114.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.545 -0.539 . . . . 1.06 109.545 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.51 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 10.8 t -81.56 -36.1 29.46 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.826 -0.349 . . . . 1.06 111.228 -175.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.429 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 68.5 m -153.36 131.6 11.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 1.1 111.889 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -114.94 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.215 -1.032 . . . . 2.0 108.215 170.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -134.05 166.67 22.2 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.369 -0.832 . . . . 2.27 110.24 -170.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 118' ' ' GLN . 77.9 p -115.19 154.45 28.98 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.212 -0.662 . . . . 1.11 109.212 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.575 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.78 179.73 0.16 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.331 0.493 . . . . 0.47 112.331 -179.242 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.6 86.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.818 0.342 . . . . 1.34 110.841 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.13 -26.99 13.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.935 -0.394 . . . . 1.59 109.935 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.575 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.41 41.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.215 1.561 . . . . 1.77 115.215 173.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -53.44 -66.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.46 -0.496 . . . . 1.26 109.932 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 5.3 ptpp? -113.71 12.02 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.539 . . . . 2.03 112.245 172.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.489 HG13 ' NE2' ' A' ' 85' ' ' GLN . 4.2 t -108.88 111.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.488 0.551 . . . . 1.15 112.488 -169.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.626 ' HG ' ' OE1' ' A' ' 118' ' ' GLN . 7.8 mp -98.94 149.94 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 1.07 109.999 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.32 110.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.764 0.792 . . . . 1.11 111.382 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.02 131.37 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 1.07 110.326 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -123.13 145.57 48.48 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.097 -0.334 . . . . 0.98 110.097 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 p -118.65 145.32 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.769 0.318 . . . . 1.06 111.288 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.51 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 24.8 t-20 -122.79 142.27 50.92 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.152 -0.476 . . . . 2.46 110.239 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.578 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.7 t30 100.59 -61.28 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 125.492 1.517 . . . . 0.81 111.294 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 35.6 Cg_exo -61.17 172.64 3.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.635 1.557 . . . . 0.47 110.67 164.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.46 110.16 2.66 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 2.5 109.708 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.63 115.16 1.11 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.931 3.087 . . . . 0.81 113.654 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 m -140.55 139.05 34.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.441 -0.799 . . . . 1.07 109.718 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.3 m -111.0 120.03 41.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 1.03 110.047 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -103.17 125.58 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.98 110.582 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.4 m-80 -105.07 106.85 17.53 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.283 0.563 . . . . 0.46 109.948 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 44' ' ' VAL . 63.3 m-85 -84.89 113.71 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.856 -1.065 . . . . 0.48 109.003 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.502 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 11.8 m -120.73 135.49 55.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.329 -0.396 . . . . 1.18 110.969 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.408 ' HB2' ' NH2' ' A' ' 114' ' ' ARG . 1.8 t80 -141.64 159.14 42.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.714 -0.476 . . . . 0.45 109.714 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.87 -36.1 81.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.064 0.459 . . . . 2.48 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 43.9 t -76.05 118.45 71.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 1.12 111.022 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.74 -26.67 38.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.718 2.278 . . . . 1.09 112.046 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.23 -31.83 53.86 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.666 -0.778 . . . . 0.63 111.353 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 7.1 tp10 -60.99 -41.58 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 1.14 110.012 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.15 -50.14 71.97 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.064 -0.971 . . . . 3.42 109.773 178.303 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 45.6 mt-10 -66.06 -46.09 79.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.295 -1.32 . . . . 1.68 111.487 -175.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.69 -41.78 82.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.439 0.462 . . . . 1.44 110.86 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -44.62 61.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.593 -0.276 . . . . 0.3 111.087 -176.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.626 ' OE1' ' HG ' ' A' ' 92' ' ' LEU . 7.8 tp60 -55.23 -48.83 73.35 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.846 -0.616 . . . . 0.74 112.028 -174.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.7 pt-20 -75.0 -38.77 61.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.986 0.422 . . . . 0.47 111.836 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.7 mm100 -65.97 -41.92 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.04 -0.527 . . . . 0.32 112.259 -173.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.46 -37.42 78.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.344 -0.389 . . . . 1.06 110.576 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.86 -37.5 81.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 1.44 110.486 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 t -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.736 -0.665 . . . . 1.7 110.081 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.499 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -66.96 -45.38 77.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 1.05 109.778 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.411 ' HG2' HD12 ' A' ' 79' ' ' ILE . 50.7 mtp -57.16 -51.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.98 111.13 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -72.3 -18.07 61.82 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.06 -0.518 . . . . 1.93 111.435 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.15 -57.57 3.93 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 120.323 -0.551 . . . . 0.56 111.089 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.457 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 1.7 ptm . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 112.358 0.503 . . . . 2.18 112.358 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 2.9 m . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 109.543 -0.54 . . . . 2.14 109.543 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.35 71.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.558 0.577 . . . . 1.51 112.558 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -80.22 -46.65 15.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.789 -0.449 . . . . 1.91 109.789 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' A' ' 11' ' ' SER . 30.4 t70 -59.89 -46.84 88.04 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 2.69 111.305 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.618 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.9 tp -64.37 -37.7 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.543 -0.299 . . . . 1.25 110.417 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.08 -48.82 67.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.126 -0.23 . . . . 2.45 110.648 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.485 ' O ' ' HG2' ' A' ' 21' ' ' MET . 66.6 mtt -61.43 -34.69 75.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.634 -0.257 . . . . 2.36 111.176 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -75.7 -35.99 60.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.281 -0.568 . . . . 2.15 110.505 175.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.681 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -72.62 -39.15 67.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 1.66 110.724 -174.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 31.2 m -64.3 -31.65 54.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.051 -0.522 . . . . 1.04 110.248 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 17' ' ' MET . 25.1 mmt -65.59 -34.39 78.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.107 0.48 . . . . 3.23 110.306 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.681 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 43.6 mt-30 -65.93 -46.21 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.05 109.327 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 51.9 m-85 -67.35 -31.82 72.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.508 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 28.3 ttt180 -60.64 -41.18 94.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.71 110.835 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -66.93 -35.57 80.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.404 . . . . 3.38 110.616 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.35 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.888 -0.596 . . . . 0.83 111.084 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.66 -19.95 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.044 -0.525 . . . . 1.07 110.396 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.609 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 85.4 m -76.37 107.23 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.146 -0.687 . . . . 1.04 109.146 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 172.51 16.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.985 -0.552 . . . . 1.44 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.74 126.62 68.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.103 -0.702 . . . . 1.59 109.103 171.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.01 149.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 1.08 110.377 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.24 120.65 40.83 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.083 0.468 . . . . 1.38 110.194 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.0 mt -86.78 146.08 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 1.06 110.836 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -145.96 106.07 4.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.535 -0.543 . . . . 1.44 109.535 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.456 HG21 ' HB3' ' A' ' 37' ' ' LEU . 4.9 t -169.87 -168.26 0.74 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 121.072 -0.251 . . . . 0.95 110.479 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -66.34 -16.45 64.06 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.32 0.581 . . . . 3.78 110.239 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 26.0 tp -65.03 -61.66 2.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.308 -0.86 . . . . 1.5 109.041 173.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.0 p90 177.72 -178.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.214 -0.903 . . . . 1.26 109.038 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.45 100.15 5.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.372 -0.603 . . . . 0.69 109.372 171.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -151.91 157.43 41.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.618 -0.512 . . . . 2.08 109.618 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 44.6 m -83.05 115.8 22.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.599 -0.519 . . . . 1.06 109.599 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.63 159.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.989 -0.55 . . . . 1.05 110.554 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 39.8 ttpt -102.86 122.71 45.09 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.93 -0.767 . . . . 2.07 108.93 171.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.39 159.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 110.136 -0.32 . . . . 1.17 110.136 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -175.14 -172.01 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.796 -0.816 . . . . 0.99 108.796 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -138.78 161.16 37.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.818 -0.438 . . . . 0.68 109.818 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.533 ' OG ' ' HB2' ' A' ' 52' ' ' GLU . 55.7 m -66.4 -179.2 0.77 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.72 0.267 . . . . 1.18 111.72 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.35 -50.4 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.686 0.279 . . . . 2.59 111.019 -170.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.77 13.09 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 0.71 110.778 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.97 46.22 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 111.73 -0.548 . . . . 0.43 111.73 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 12.9 pt-20 -72.34 -16.18 61.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.523 0.564 . . . . 1.99 112.523 -172.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HB2' ' OG ' ' A' ' 47' ' ' SER . 39.8 mt-10 -143.17 153.61 43.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.73 -0.214 . . . . 1.49 111.389 -174.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 59.9 t -106.06 129.25 59.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.514 -0.921 . . . . 1.06 108.514 170.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' OE1' ' HA3' ' A' ' 73' ' ' GLY . 9.3 mm-40 -127.58 156.43 42.27 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.147 -0.316 . . . . 2.12 110.147 -173.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 20.9 p90 -144.26 155.5 43.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.381 0.61 . . . . 0.35 111.66 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.0 m-85 -120.5 119.58 33.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.964 -1.017 . . . . 0.71 109.397 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -81.68 107.4 14.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.729 0.299 . . . . 1.77 110.675 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.53 -114.41 6.69 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.397 -0.82 . . . . 1.35 112.418 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -95.95 123.46 39.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.269 -0.641 . . . . 5.35 109.269 176.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.438 ' OG ' ' HB3' ' A' ' 56' ' ' PHE . 36.1 p -127.98 179.64 5.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.956 -0.565 . . . . 3.96 111.188 -172.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.3 p -121.36 82.0 1.87 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.609 -0.723 . . . . 3.38 110.071 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 67' ' ' ARG . . . -52.38 107.15 0.19 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.1 -0.5 . . . . 2.03 111.057 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.25 111.22 0.26 Allowed Glycine 0 C--N 1.334 0.418 0 O-C-N 124.393 1.058 . . . . 1.99 114.622 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . 58.25 29.31 17.84 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.348 0.659 . . . . 2.25 111.99 175.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 71.26 -16.11 0.38 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.404 0.681 . . . . 4.06 111.411 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' ALA . 10.9 t70 -92.14 6.48 46.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.811 0.815 . . . . 2.86 109.524 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 7.5 mtm180 57.72 50.87 10.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.063 -1.426 . . . . 3.76 111.56 176.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -95.24 10.92 34.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.959 -0.564 . . . . 2.6 111.064 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -134.71 80.05 51.15 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 3.47 110.18 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 Cg_exo -77.75 153.37 29.74 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.7 2.266 . . . . 0.74 112.419 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.497 ' OG ' ' HA ' ' A' ' 56' ' ' PHE . 3.2 m -78.87 -7.71 58.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.496 -0.774 . . . . 1.28 110.208 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.53 168.27 33.67 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.421 -1.072 . . . . 0.3 110.421 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.481 ' HA3' ' OE1' ' A' ' 54' ' ' GLN . . . 166.69 -175.94 41.9 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.164 -1.017 . . . . 0.4 112.743 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.674 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -168.3 156.13 7.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.099 -0.334 . . . . 0.27 110.099 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.485 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.7 Cg_exo -68.57 139.99 46.18 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.582 2.188 . . . . 0.27 112.613 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 38.6 t -67.38 -36.59 76.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.055 -0.975 . . . . 1.09 111.376 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.44 -22.7 64.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.282 0.563 . . . . 1.29 110.411 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 78' ' ' LYS . 1.3 mptp? -91.82 -6.98 50.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 2.13 111.883 -173.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.674 HG12 ' CE2' ' A' ' 74' ' ' PHE . 14.3 mt -61.72 113.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.346 -0.612 . . . . 1.06 109.346 173.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.524 ' HB ' HD21 ' A' ' 97' ' ' ASN . 14.1 t -79.0 -29.6 43.8 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.755 -0.378 . . . . 1.06 111.039 -174.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 137.73 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 1.1 111.293 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.432 HG22 ' OE1' ' A' ' 118' ' ' GLN . 7.3 p -123.3 107.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.583 -0.895 . . . . 2.0 108.583 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 93' ' ' VAL . 8.6 pttt -138.27 167.75 21.19 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.737 0.779 . . . . 2.27 111.863 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -116.22 154.19 30.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.368 -0.833 . . . . 1.11 108.773 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.504 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.85 176.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.535 0.207 . . . . 0.47 111.467 -178.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.8 89.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 1.34 110.867 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -105.7 -26.29 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.234 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.504 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.8 p-10 33.28 40.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.957 1.466 . . . . 1.77 114.957 172.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.5 m -52.97 -62.52 1.6 Allowed 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 120.545 -0.462 . . . . 1.26 110.594 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 108' ' ' PHE . 19.8 ptmt -115.22 12.39 16.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.456 0.539 . . . . 2.03 112.456 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.414 HG12 ' NE2' ' A' ' 85' ' ' GLN . 5.0 t -113.7 135.81 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.871 0.693 . . . . 1.15 112.871 -171.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.676 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.2 mp -118.31 153.03 34.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.383 0.673 . . . . 1.07 109.794 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.485 ' C ' HD12 ' A' ' 94' ' ' ILE . 1.6 p -135.08 117.65 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 121.435 0.636 . . . . 1.11 111.313 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -130.47 130.01 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.317 -0.401 . . . . 1.07 110.123 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -119.5 145.13 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.06 -0.348 . . . . 0.98 110.06 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.1 p -122.98 147.12 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.146 0.425 . . . . 1.06 112.146 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.524 HD21 ' HB ' ' A' ' 80' ' ' THR . 7.6 p30 -116.18 153.84 31.1 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.523 -0.547 . . . . 2.46 109.523 172.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.541 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.7 t30 95.21 -64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.193 1.397 . . . . 0.81 111.211 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 48.7 Cg_exo -60.13 170.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 CA-C-N 121.227 1.474 . . . . 0.47 110.008 159.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.51 113.66 8.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.306 -0.627 . . . . 2.5 109.306 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -46.76 111.67 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.271 2.647 . . . . 0.81 112.531 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -133.72 145.31 49.75 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.128 -0.942 . . . . 1.07 109.128 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 87.7 m -114.49 109.44 18.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.085 0.469 . . . . 1.03 109.939 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -90.69 125.47 35.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.747 -0.661 . . . . 0.98 110.795 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.676 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -102.27 106.06 16.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 175.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.404 ' CE1' HD23 ' A' ' 33' ' ' LEU . 69.3 m-85 -84.41 110.97 19.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.397 -0.594 . . . . 0.48 109.397 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.4 m -120.84 134.29 55.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 1.18 110.347 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.466 ' O ' ' HE3' ' A' ' 90' ' ' LYS . 9.7 t80 -140.71 169.01 18.45 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.645 -0.422 . . . . 0.45 110.162 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.78 -44.57 85.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.158 0.504 . . . . 2.48 109.741 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 41.2 t -69.18 121.87 83.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.262 -0.881 . . . . 1.12 111.108 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.478 ' C ' HH21 ' A' ' 114' ' ' ARG . 17.0 Cg_exo -68.81 3.72 2.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.928 2.419 . . . . 1.09 112.251 174.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.71 -38.88 0.74 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.501 -0.857 . . . . 0.63 112.827 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 8.8 tp10 -50.68 -45.78 58.37 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.268 0.556 . . . . 1.14 112.363 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.47 -42.39 74.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 3.42 110.364 -174.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.41 -32.42 71.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.416 -0.357 . . . . 1.68 111.455 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.9 m -58.48 -42.17 86.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.482 -0.562 . . . . 1.44 109.482 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -66.38 -43.67 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.628 -0.715 . . . . 0.3 109.691 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 6.4 tp-100 -53.35 -50.21 65.51 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.259 -0.882 . . . . 0.74 111.708 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.15 -32.87 61.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.913 -0.315 . . . . 0.47 111.606 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.525 -0.307 . . . . 0.32 111.649 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 122' ' ' GLN . 9.7 tp -63.42 -36.7 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 1.06 110.186 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 76.0 mt-30 -60.4 -47.47 85.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.191 0.519 . . . . 1.44 109.851 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.7 m -60.49 -41.44 94.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.268 -0.878 . . . . 1.7 110.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -67.13 -45.78 76.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.088 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.477 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.1 mtp -58.4 -51.79 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.98 111.238 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.79 -18.01 61.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.22 -0.446 . . . . 1.93 111.114 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.58 -51.15 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.286 -0.415 . . . . 0.56 111.063 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.447 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 14.4 ptm -93.3 -26.7 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 2.18 111.511 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.5 t -107.13 32.98 4.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.451 0.643 . . . . 1.19 109.784 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -58.21 130.47 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.422 -0.808 . . . . 4.34 110.83 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.433 -0.794 . . . . 4.8 110.472 -175.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 121.009 0.433 . . . . 2.14 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.99 94.61 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.388 -0.824 . . . . 1.51 112.094 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.1 -47.6 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.997 -0.372 . . . . 1.91 109.997 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.3 -48.26 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.891 -0.595 . . . . 2.69 111.533 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.1 tp -65.12 -37.45 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 1.25 110.435 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 20' ' ' VAL . 59.0 ttt180 -62.09 -48.99 77.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.986 -0.375 . . . . 2.45 109.986 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.5 -39.6 76.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 2.36 111.599 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.0 ptpp? -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.156 -0.617 . . . . 2.15 110.905 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.639 ' HA ' HE21 ' A' ' 22' ' ' GLN . 0.7 OUTLIER -72.89 -39.92 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 1.66 111.145 -177.498 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 16' ' ' ARG . 31.6 m -66.74 -31.7 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.442 -0.344 . . . . 1.04 110.202 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.5 mmm -67.51 -37.75 83.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.821 0.343 . . . . 3.23 110.178 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.639 HE21 ' HA ' ' A' ' 19' ' ' LYS . 55.3 mt-30 -58.6 -45.26 89.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.119 172.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' HD21 ' A' ' 124' ' ' LEU . 43.3 m-85 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.199 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 36.0 ttt180 -61.91 -40.81 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.71 110.77 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -60.4 -37.62 81.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 3.38 110.28 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.47 -13.64 57.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.433 -0.803 . . . . 0.83 111.488 -176.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.36 -17.01 17.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.097 -0.501 . . . . 1.07 110.701 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.586 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 86.7 m -80.89 106.15 12.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.175 0.512 . . . . 1.04 110.382 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.3 mptp? -148.89 169.74 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.614 -0.721 . . . . 1.44 110.24 -171.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.58 126.91 62.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.177 -1.046 . . . . 1.59 108.177 164.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.44 155.65 7.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.02 -0.363 . . . . 1.08 110.02 -174.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -106.2 120.66 42.42 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.887 0.375 . . . . 1.38 110.247 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.2 mt -88.89 138.25 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 1.06 111.095 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -140.13 106.55 5.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 1.44 109.728 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 37' ' ' LEU . 5.2 t -168.98 -168.15 0.82 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.835 -0.346 . . . . 0.95 111.073 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -57.55 -24.76 57.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.25 0.548 . . . . 3.78 110.527 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HB3' HG22 ' A' ' 35' ' ' THR . 61.4 tp -64.17 -59.07 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.276 -0.875 . . . . 1.5 109.829 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CZ ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 175.15 -171.04 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.312 -0.625 . . . . 1.26 109.312 179.07 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 8.5 p -141.06 99.03 3.5 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.167 -0.309 . . . . 0.69 110.167 173.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.1 mt-10 -156.73 167.78 29.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.813 -0.63 . . . . 2.08 109.316 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 10.3 m -82.74 127.19 33.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.837 0.351 . . . . 1.06 110.609 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 57' ' ' LYS . 3.5 m -125.76 158.83 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.326 -0.397 . . . . 1.05 110.413 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 27.9 ttpp -101.56 120.29 40.09 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.264 -0.643 . . . . 2.07 109.264 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.41 152.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 1.17 110.103 -173.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.405 HG22 ' HG3' ' A' ' 54' ' ' GLN . 15.1 t -177.01 -172.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.215 -0.661 . . . . 0.99 109.215 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -137.56 168.04 20.46 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.134 -0.321 . . . . 0.68 110.134 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 p -71.13 178.43 3.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.682 0.253 . . . . 1.18 111.682 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -69.34 -34.03 74.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.515 0.197 . . . . 2.59 111.478 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.86 -0.12 57.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.447 -0.342 . . . . 0.71 110.48 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 76' ' ' VAL . . . 70.21 9.56 64.12 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 115.868 -0.605 . . . . 0.43 112.337 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.15 -29.82 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 1.99 110.998 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -121.36 145.74 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 1.49 111.47 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 47.6 t -104.2 120.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.143 -1.058 . . . . 1.06 108.143 168.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 45' ' ' THR . 10.3 pt20 -126.31 160.74 29.52 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.943 0.401 . . . . 2.12 110.896 -174.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 16.3 p90 -146.85 159.83 43.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.377 0.608 . . . . 0.35 111.238 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.6 m-85 -119.27 102.6 8.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.098 -0.956 . . . . 0.71 109.015 176.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.651 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 mtmm -73.79 132.61 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.004 -0.543 . . . . 1.77 110.537 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 -101.2 0.79 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.91 -0.586 . . . . 1.35 111.725 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -144.02 50.52 1.33 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.733 -0.84 . . . . 5.35 108.733 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.28 135.71 54.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.907 -1.042 . . . . 3.96 111.136 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 p -66.19 137.02 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.455 -0.793 . . . . 3.38 112.319 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' HB3' ' HG2' ' A' ' 67' ' ' ARG . . . -77.33 117.16 18.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.641 -0.709 . . . . 2.03 111.178 175.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -52.71 127.98 35.53 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.743 -0.662 . . . . 1.99 114.028 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . 49.23 34.78 6.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.839 0.681 . . . . 2.25 112.839 175.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 70.3 -42.96 0.53 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.508 0.723 . . . . 4.06 112.313 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 64' ' ' ALA . 34.3 t70 -78.16 8.33 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.844 0.83 . . . . 2.86 110.697 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.478 ' HG2' ' HB3' ' A' ' 62' ' ' ALA . 10.0 mtt180 60.3 58.8 2.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.78 -1.1 . . . . 3.76 110.225 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -83.85 -15.25 48.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.69 0.757 . . . . 2.6 109.238 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.5 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 27.0 tptp -120.65 94.29 48.8 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.718 -1.128 . . . . 3.47 110.551 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.473 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 Cg_exo -81.31 166.27 18.3 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.225 2.616 . . . . 0.74 111.503 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 23.0 t -92.59 4.79 52.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.524 0.678 . . . . 1.28 109.724 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.82 165.48 19.97 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.286 -1.126 . . . . 0.3 110.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 53' ' ' VAL . . . 170.46 155.6 10.5 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.917 -1.135 . . . . 0.4 113.051 -178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -145.73 153.86 51.14 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.741 -0.466 . . . . 0.27 109.741 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.524 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 6.5 Cg_exo -71.98 139.44 32.98 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.452 2.102 . . . . 0.27 112.287 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 49.9 t -65.16 -36.91 78.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.64 -1.164 . . . . 1.09 111.87 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.28 -17.25 60.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.182 0.515 . . . . 1.29 110.698 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.3 mptp? -91.52 -7.62 49.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.194 -0.457 . . . . 2.13 111.496 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.631 HG12 ' CE2' ' A' ' 74' ' ' PHE . 17.0 mt -64.95 124.58 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.461 -0.57 . . . . 1.06 109.461 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.441 ' H ' ' HA ' ' A' ' 96' ' ' VAL . 11.4 t -84.39 -39.03 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.603 -0.439 . . . . 1.06 111.023 -174.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -160.24 136.3 8.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.963 0.411 . . . . 1.1 111.495 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.495 HG11 ' OE1' ' A' ' 118' ' ' GLN . 52.3 t -118.96 106.5 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.842 -0.617 . . . . 2.0 109.426 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HB2' HG13 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -124.61 167.54 14.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.496 0.665 . . . . 2.27 111.698 -175.539 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.1 p -108.29 154.16 22.2 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.741 -0.837 . . . . 1.11 108.741 168.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.492 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.84 172.65 1.25 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.282 0.087 . . . . 0.47 111.215 -178.486 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.83 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 1.34 111.081 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.49 -25.06 10.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 1.59 110.247 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 8.4 p30 33.03 44.53 0.05 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.714 1.376 . . . . 1.77 114.714 173.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.3 m -51.17 -58.0 7.29 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.323 -0.551 . . . . 1.26 110.194 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.506 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 5.0 ptpp? -116.91 4.62 12.88 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.783 1.031 . . . . 2.03 113.783 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.7 t -110.25 135.47 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.701 1.0 . . . . 1.15 113.701 -168.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.8 mp -112.61 152.44 28.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.649 -0.705 . . . . 1.07 110.009 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.446 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.7 p -132.18 109.84 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.741 0.781 . . . . 1.11 111.614 178.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.455 HG13 HG13 ' A' ' 82' ' ' VAL . 2.1 mp -121.04 132.49 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 1.07 109.822 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -124.82 144.21 50.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 0.98 110.589 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.441 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.3 p -120.14 144.96 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 1.06 110.86 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.403 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 49.8 t-20 -131.77 97.05 4.09 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.827 0.346 . . . . 2.46 111.112 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.596 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.8 t30 165.34 -56.42 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.646 0 O-C-N 124.736 1.273 . . . . 0.81 108.475 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.9 173.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.221 1.948 . . . . 0.47 110.575 157.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -59.24 126.57 82.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.373 -0.603 . . . . 2.5 109.373 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.65 111.78 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.242 2.628 . . . . 0.81 112.866 -171.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -140.36 145.93 37.77 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.457 -0.792 . . . . 1.07 109.922 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.2 m -121.37 108.5 13.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.201 -0.666 . . . . 1.03 109.201 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.35 122.12 32.27 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.683 -0.69 . . . . 0.98 110.535 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 28.9 m-80 -104.98 103.79 13.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.563 -0.744 . . . . 0.46 109.721 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.771 -1.104 . . . . 0.48 109.616 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.462 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 23.3 m -119.97 137.21 54.2 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.945 -0.571 . . . . 1.18 110.426 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -140.19 167.64 21.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.054 -0.721 . . . . 0.45 109.054 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 28.8 tttt -65.89 -45.88 80.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.044 0.449 . . . . 2.48 110.22 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.552 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 37.6 t -71.91 112.28 13.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 1.12 111.683 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 109' ' ' LYS . 27.8 Cg_exo -62.49 4.84 0.3 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.596 2.864 . . . . 1.09 112.861 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 110' ' ' SER . . . -109.63 -39.65 1.57 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.702 -0.761 . . . . 0.63 112.073 172.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.26 -52.04 64.7 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.544 0.572 . . . . 1.14 112.544 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 110' ' ' SER . 0.0 OUTLIER -69.02 -45.33 70.77 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.821 -0.352 . . . . 3.42 111.221 -173.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.32 -33.56 74.91 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.753 0.279 . . . . 1.68 111.753 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -39.97 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.941 -0.392 . . . . 1.44 109.941 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.57 -41.5 92.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.401 -0.592 . . . . 0.3 109.401 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.3 tp-100 -53.34 -52.45 59.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.855 -1.066 . . . . 0.74 112.052 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.53 -31.56 62.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.021 0.439 . . . . 0.47 110.975 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.475 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.5 mm100 -69.46 -45.56 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 0.32 111.788 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.7 -44.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 1.06 110.752 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 7.7 pt20 -70.04 -27.98 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.74 -0.384 . . . . 1.44 110.902 -176.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.8 m -68.33 -42.04 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 1.7 110.212 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -63.66 -43.15 97.58 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.554 -0.536 . . . . 1.05 109.554 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.558 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 56.4 mtp -55.67 -52.91 62.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.98 110.972 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -65.5 -39.24 91.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.651 -0.704 . . . . 1.93 111.014 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.86 -39.45 62.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.988 0.366 . . . . 0.56 111.988 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.5 ptp -105.99 -23.87 12.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.043 0.386 . . . . 2.18 112.043 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.4 t -94.56 -10.19 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.184 -0.206 . . . . 1.19 111.52 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 43.8 mtm -69.18 93.38 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.134 0.492 . . . . 4.34 110.282 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 37.4 pttt . . . . . 0 C--N 1.316 -0.883 0 CA-C-N 115.813 -0.631 . . . . 4.8 110.413 -178.492 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' HG22 ' A' ' 15' ' ' ILE . 19.2 m . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 109.993 -0.373 . . . . 2.14 109.993 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.45 -56.86 10.96 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.235 0.828 . . . . 1.51 113.235 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -69.56 -40.78 76.59 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.82 0.343 . . . . 1.91 111.607 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.5 -45.95 77.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 2.69 111.285 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.9 tp -67.06 -37.52 79.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 120.869 0.366 . . . . 1.25 110.346 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' HG11 ' A' ' 20' ' ' VAL . 27.6 ttm180 -59.86 -43.89 94.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.285 -0.416 . . . . 2.45 111.173 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.6 mtm -58.47 -40.02 81.58 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.961 -0.296 . . . . 2.36 111.406 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.733 ' O ' ' HB2' ' A' ' 21' ' ' MET . 18.6 ptpt -77.33 -34.92 55.21 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.489 -0.484 . . . . 2.15 110.796 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.798 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.9 tmtp? -74.47 -32.31 62.54 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.592 0.357 . . . . 1.66 111.368 -172.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 16' ' ' ARG . 33.8 m -63.87 -29.62 47.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.401 -0.592 . . . . 1.04 109.401 173.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.733 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 65.6 mtt -57.02 -41.59 78.86 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.415 0.447 . . . . 3.23 110.709 174.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.798 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 1.9 mp0 -56.09 -50.68 70.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.256 0.551 . . . . 1.05 110.916 171.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 124' ' ' LEU . 57.5 m-85 -68.8 -28.82 67.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.221 -0.9 . . . . 1.0 111.478 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 31.7 ttt180 -65.84 -36.99 85.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 0.71 110.77 -175.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.17 -31.37 69.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 3.38 110.234 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.71 -17.86 46.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.766 -0.652 . . . . 0.83 110.924 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.73 -14.55 19.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 1.07 111.109 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.612 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.4 m -85.23 104.7 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 1.04 109.967 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.3 mptm? -147.59 167.02 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.504 -0.771 . . . . 1.44 109.73 -175.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 127.87 55.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.542 -0.91 . . . . 1.59 108.542 168.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.84 149.51 14.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.895 0.378 . . . . 1.08 110.211 -174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -101.5 122.05 43.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.946 0.403 . . . . 1.38 110.421 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 39' ' ' SER . 20.8 mt -87.82 140.9 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 1.06 111.056 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.523 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 35.0 mtmt -143.43 106.21 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 1.44 109.919 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -169.19 -165.84 0.57 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.283 -0.266 . . . . 0.95 110.283 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.74 -19.56 65.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.483 0.659 . . . . 3.78 109.888 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 34.1 tp -63.96 -65.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.114 -0.948 . . . . 1.5 109.329 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.0 p90 -179.24 -174.88 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.589 -0.732 . . . . 1.26 109.774 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.7 p -129.46 99.89 5.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.269 -0.641 . . . . 0.69 109.269 170.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.2 159.08 43.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.59 . . . . 2.08 109.654 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 25.4 m -87.5 123.38 32.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.908 0.385 . . . . 1.06 110.003 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.86 159.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.938 -0.574 . . . . 1.05 110.006 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -103.82 122.37 44.99 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.955 -0.758 . . . . 2.07 108.955 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.53 155.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.738 -0.467 . . . . 1.17 109.738 -174.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -174.05 -179.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.273 -0.64 . . . . 0.99 109.273 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 17.3 p -124.36 170.91 10.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.463 -0.569 . . . . 0.68 109.463 173.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -71.86 -178.8 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.017 -0.273 . . . . 1.18 110.979 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.07 -28.51 65.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 2.59 110.347 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' C ' HG23 ' A' ' 20' ' ' VAL . 15.1 m-20 -94.09 0.17 55.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.71 110.228 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 76' ' ' VAL . . . 74.53 0.15 57.46 Favored Glycine 0 C--O 1.222 -0.608 0 C-N-CA 121.052 -0.594 . . . . 0.43 112.67 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.38 -16.83 58.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.677 0.621 . . . . 1.99 112.677 -170.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -125.62 144.73 50.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.538 0.209 . . . . 1.49 110.905 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.13 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.517 -0.92 . . . . 1.06 108.517 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.75 160.92 23.55 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.75 0.31 . . . . 2.12 110.26 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p90 -140.52 141.72 35.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.747 0.784 . . . . 0.35 111.845 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' SER . 67.7 m-85 -102.15 101.14 11.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.759 -1.11 . . . . 0.71 108.554 175.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' A' ' 59' ' ' LYS . 85.2 mttt -63.87 163.47 11.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.47 -0.567 . . . . 1.77 109.47 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.95 32.96 0.63 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 121.029 -0.605 . . . . 1.35 113.477 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 57' ' ' LYS . 35.9 mtmt -136.78 6.62 2.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.938 -0.764 . . . . 5.35 108.938 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 56' ' ' PHE . 66.1 m -156.24 116.66 3.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.046 -0.979 . . . . 3.96 109.382 177.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.4 m -88.48 -50.2 6.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.694 0.283 . . . . 3.38 111.382 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.9 132.55 2.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 2.03 111.086 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.426 ' N ' ' HA ' ' A' ' 67' ' ' ARG . . . -74.18 112.17 3.67 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.936 -0.575 . . . . 1.99 112.95 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.38 48.72 21.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.317 0.647 . . . . 2.25 112.047 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 71.71 -49.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.679 0.792 . . . . 4.06 112.399 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 68' ' ' LYS . 26.7 m-20 -81.1 11.64 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.233 0.54 . . . . 2.86 111.594 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HA ' ' N ' ' A' ' 63' ' ' GLY . 11.9 mtt180 55.61 58.71 4.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.99 -1.004 . . . . 3.76 112.578 175.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HD2' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -102.52 22.0 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.41 -0.516 . . . . 2.6 110.738 177.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 16.1 tppt? -134.12 76.75 63.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.915 0.388 . . . . 3.47 111.522 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.5 144.55 36.32 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 122.181 1.921 . . . . 0.74 110.074 167.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -92.35 9.7 32.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.383 0.611 . . . . 1.28 110.141 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.04 167.22 30.2 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.397 -0.82 . . . . 0.3 111.087 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.55 170.36 32.25 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.686 -0.768 . . . . 0.4 112.236 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.708 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -155.9 155.24 29.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.114 -0.328 . . . . 0.27 110.114 177.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.479 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 13.6 Cg_exo -68.29 139.41 45.72 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.796 2.331 . . . . 0.27 112.882 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 50' ' ' GLY . 47.4 t -64.91 -37.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.988 -1.005 . . . . 1.09 111.592 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.75 -20.87 64.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 1.29 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 2.6 mptp? -94.15 -7.15 43.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 2.13 111.92 -174.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.708 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.2 mt -64.91 116.23 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.687 -0.486 . . . . 1.06 109.687 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.53 ' HB ' HD21 ' A' ' 97' ' ' ASN . 11.6 t -79.88 -36.15 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.779 -0.368 . . . . 1.06 111.206 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.0 m -157.77 136.04 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.016 0.436 . . . . 1.1 111.502 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.481 HG13 ' OE1' ' A' ' 118' ' ' GLN . 55.7 t -121.9 107.43 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.669 -0.863 . . . . 2.0 108.669 173.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -130.92 165.57 22.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.669 0.747 . . . . 2.27 110.738 -177.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 p -109.01 153.97 22.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.3 -0.864 . . . . 1.11 108.879 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.588 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -62.13 179.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.799 0.296 . . . . 0.47 111.799 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.22 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.852 0.358 . . . . 1.34 111.351 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.35 -22.01 8.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.059 -0.719 . . . . 1.59 109.059 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.588 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.4 p-10 41.17 48.4 3.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.065 -0.971 . . . . 1.77 113.191 172.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -47.41 -67.47 0.27 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.077 0.465 . . . . 1.26 110.128 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 5.1 ptpp? -115.15 6.75 15.19 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.128 0.418 . . . . 2.03 112.128 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.91 124.16 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 113.298 0.851 . . . . 1.15 113.298 -166.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.623 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 9.0 mp -111.6 152.11 27.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 1.07 110.107 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' C ' HD12 ' A' ' 94' ' ' ILE . 1.9 p -133.2 110.87 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.543 0.687 . . . . 1.11 111.536 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -124.7 131.63 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.654 . . . . 1.07 110.587 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.4 m -124.03 146.19 48.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.635 0.255 . . . . 0.98 110.77 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.513 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 p -120.58 146.48 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 111.778 0.288 . . . . 1.06 111.778 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.53 HD21 ' HB ' ' A' ' 80' ' ' THR . 6.5 p30 -117.58 150.26 39.29 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.731 -0.47 . . . . 2.46 109.731 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.586 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.0 t30 94.18 -65.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.98 1.312 . . . . 0.81 111.381 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 52.4 Cg_exo -58.73 171.65 1.92 Allowed 'Trans proline' 0 C--N 1.366 1.456 0 CA-C-N 121.337 1.513 . . . . 0.47 110.755 163.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.43 116.9 19.95 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.63 -0.507 . . . . 2.5 109.63 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.74 120.25 5.71 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.508 2.805 . . . . 0.81 113.015 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.7 m -144.68 141.96 29.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.882 -1.054 . . . . 1.07 109.658 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 60.4 m -119.74 108.85 14.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.331 0.586 . . . . 1.03 109.995 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -91.61 126.2 36.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.506 -0.77 . . . . 0.98 110.758 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.623 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.0 106.11 16.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.212 -0.662 . . . . 0.46 109.212 175.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' CE1' HD22 ' A' ' 33' ' ' LEU . 58.9 m-85 -84.74 111.53 19.68 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 0.48 109.343 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.523 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 35.8 m -120.31 137.43 54.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.778 -0.646 . . . . 1.18 110.719 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -140.81 174.03 10.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.747 -0.464 . . . . 0.45 109.747 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -65.94 -53.19 42.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.988 0.899 . . . . 2.48 109.075 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.476 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 15.9 m -75.27 110.1 9.4 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 113.449 -1.705 . . . . 1.12 111.191 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.2 5.94 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.554 2.836 . . . . 1.09 113.066 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.89 -32.09 3.18 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.834 -0.698 . . . . 0.63 111.646 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.58 -51.76 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.28 0.474 . . . . 1.14 112.28 -171.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.622 ' HE ' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -60.01 -40.98 91.1 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.892 0.377 . . . . 3.42 110.711 -177.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.563 ' H ' ' NH1' ' A' ' 114' ' ' ARG . 37.2 mt-10 -68.52 -35.05 76.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.467 -0.333 . . . . 1.68 111.808 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -34.42 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.705 -0.48 . . . . 1.44 109.705 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -72.78 -47.63 45.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.3 109.551 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.481 ' OE1' HG13 ' A' ' 82' ' ' VAL . 6.4 tp-100 -50.98 -51.11 56.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.676 -1.147 . . . . 0.74 112.153 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.59 -34.19 67.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.949 0.404 . . . . 0.47 111.326 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.474 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.3 mm100 -73.72 -40.36 63.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.32 112.183 -174.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.13 -38.17 81.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 1.06 110.568 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.14 -41.34 99.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 1.44 110.338 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.7 m -61.99 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 1.7 110.621 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -65.43 -46.36 80.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.469 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 46.4 mtp -56.32 -52.51 64.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.98 111.291 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.657 ' O ' ' HB3' ' A' ' 130' ' ' MET . 33.6 mmtp -73.4 -17.58 61.25 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.847 -0.615 . . . . 1.93 111.658 -174.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -71.0 -46.4 62.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.989 0.423 . . . . 0.56 111.002 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.3 ptp -98.2 -36.73 9.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.312 -0.404 . . . . 2.18 111.549 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -91.02 32.2 1.03 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.571 0.7 . . . . 1.19 109.891 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.657 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 24.6 ptt? -81.55 126.87 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.884 -0.598 . . . . 4.34 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.406 -0.807 . . . . 4.8 109.563 177.832 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 17.0 t . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.606 -0.516 . . . . 2.14 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.19 90.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.701 -0.681 . . . . 1.51 111.443 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 17' ' ' MET . 75.4 m -67.57 -45.46 75.53 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.893 -0.594 . . . . 1.91 111.115 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 35.6 t70 -68.16 -46.02 71.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 2.69 111.256 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.39 -35.61 72.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.469 -0.332 . . . . 1.25 110.226 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' HG11 ' A' ' 20' ' ' VAL . 27.8 ttm180 -60.23 -51.25 70.37 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 110.337 -0.246 . . . . 2.45 110.337 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 13' ' ' SER . 55.1 mtt -56.07 -35.7 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.833 0.825 . . . . 2.36 110.028 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.634 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 22.0 tptt -72.64 -38.72 67.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.416 -1.266 . . . . 2.15 111.368 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.69 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 4.7 tmtp? -76.6 -41.05 47.56 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.071 -0.393 . . . . 1.66 111.216 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 16' ' ' ARG . 21.2 m -66.58 -30.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.413 -0.358 . . . . 1.04 110.817 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptm -67.63 -31.61 71.74 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.459 . . . . 3.23 109.804 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.69 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 32.7 mt-30 -66.05 -49.67 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 1.05 108.978 174.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.681 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 37.4 m-85 -64.2 -36.33 83.72 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.4 -0.818 . . . . 1.0 111.043 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 38.1 ttt180 -57.31 -44.29 84.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.71 110.082 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.17 -38.14 89.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 3.38 110.756 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' O ' ' HE2' ' A' ' 29' ' ' LYS . . . -77.18 -16.4 59.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.83 111.395 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.17 -18.28 18.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.07 -0.514 . . . . 1.07 110.773 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.665 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.9 m -75.95 104.85 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.47 . . . . 1.04 110.066 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.4 mptp? -146.26 165.4 29.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.449 -0.796 . . . . 1.44 109.568 -174.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -103.37 129.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 107.994 -1.113 . . . . 1.59 107.994 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' HH22 ' A' ' 114' ' ' ARG . 2.2 t -150.24 148.91 14.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.279 -0.419 . . . . 1.08 110.96 -168.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.81 117.1 33.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.862 -0.422 . . . . 1.38 109.862 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 39' ' ' SER . 19.7 mt -85.99 142.1 29.02 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.92 -0.582 . . . . 1.06 110.676 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.8 mtmt -142.48 105.43 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 1.44 110.064 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 4.6 t -169.01 -173.81 1.89 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.29 -0.414 . . . . 0.95 109.938 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -66.63 -9.76 39.05 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.128 0.49 . . . . 3.78 110.938 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 35' ' ' THR . 24.6 tp -65.73 -60.79 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.465 -0.939 . . . . 1.5 108.465 169.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 13.0 p90 178.64 178.19 0.43 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.023 -0.99 . . . . 1.26 109.726 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.9 p -126.57 101.33 6.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.315 -0.624 . . . . 0.69 109.315 170.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -155.18 163.25 40.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.934 -0.575 . . . . 2.08 110.511 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.0 m -87.84 122.11 31.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.945 -0.57 . . . . 1.06 109.816 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.5 174.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.764 -0.653 . . . . 1.05 109.697 -175.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -120.26 126.17 49.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.899 -0.778 . . . . 2.07 108.899 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.64 158.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 110.359 -0.237 . . . . 1.17 110.359 -172.393 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 54' ' ' GLN . 14.9 t 177.21 -171.43 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.571 -0.9 . . . . 0.99 108.571 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 28.4 p -136.04 167.69 20.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.643 -0.503 . . . . 0.68 109.643 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -71.34 171.69 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.443 -0.206 . . . . 1.18 110.443 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -63.44 -36.7 84.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.41 0.522 . . . . 2.59 112.41 -172.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.45 5.68 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.634 0.254 . . . . 0.71 111.369 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.91 70.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.43 112.595 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.63 -33.61 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.391 . . . . 1.99 110.91 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -120.99 148.29 44.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 1.49 111.395 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -101.53 119.97 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.85 -1.167 . . . . 1.06 107.85 166.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' A' ' 70' ' ' PRO . 3.4 pt20 -126.62 156.11 41.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.667 0.27 . . . . 2.12 110.552 -171.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -141.92 149.03 39.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.622 0.725 . . . . 0.35 112.038 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 58.7 m-85 -108.41 102.54 11.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.845 -1.07 . . . . 0.71 109.241 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HE2' ' OG ' ' A' ' 71' ' ' SER . 46.6 mtmt -68.45 124.55 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 1.77 111.126 -175.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.56 -100.96 0.21 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.922 -0.581 . . . . 1.35 113.434 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.92 31.87 6.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.782 0.325 . . . . 5.35 110.772 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.458 ' HB2' ' HB3' ' A' ' 56' ' ' PHE . 70.5 m -62.65 136.92 58.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.225 -0.443 . . . . 3.96 110.189 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -65.76 130.19 42.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.433 . . . . 3.38 110.875 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.504 ' C ' ' HA ' ' A' ' 67' ' ' ARG . . . -84.41 66.58 9.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.028 -0.533 . . . . 2.03 110.832 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.61 -146.41 2.5 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.153 -0.93 . . . . 1.99 113.719 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -98.02 58.75 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.162 -0.31 . . . . 2.25 110.162 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 72.62 -31.24 0.22 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.655 -0.702 . . . . 4.06 110.592 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 64' ' ' ALA . 3.6 m-20 -83.1 -11.38 58.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.715 0.769 . . . . 2.86 110.469 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.504 ' HA ' ' C ' ' A' ' 62' ' ' ALA . 64.2 mtt180 59.63 52.29 5.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.058 -1.428 . . . . 3.76 113.286 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 29.19 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.429 -0.508 . . . . 2.6 110.486 175.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -134.64 73.55 67.3 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.848 0.356 . . . . 3.47 110.472 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.454 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 60.2 Cg_endo -84.59 167.18 11.75 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.613 2.209 . . . . 0.74 112.217 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.468 ' OG ' ' HE2' ' A' ' 57' ' ' LYS . 4.8 t -109.34 23.02 15.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.82 0.819 . . . . 1.28 109.399 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.6 154.36 8.08 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.946 -1.024 . . . . 0.3 110.612 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.86 165.24 29.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.247 -0.978 . . . . 0.4 112.995 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.628 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -151.7 153.4 31.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.057 -0.349 . . . . 0.27 110.057 178.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.29 136.73 38.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.865 2.377 . . . . 0.27 112.565 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 53' ' ' VAL . 84.3 t -65.03 -38.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.049 -0.978 . . . . 1.09 111.668 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.03 -13.06 62.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.396 0.617 . . . . 1.29 110.665 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -100.08 -5.99 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 2.13 111.72 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.628 HG12 ' CE2' ' A' ' 74' ' ' PHE . 13.8 mt -64.86 125.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.647 -0.501 . . . . 1.06 109.647 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.487 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.7 t -87.09 -34.97 18.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.698 -0.401 . . . . 1.06 110.933 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.437 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 73.8 m -160.22 131.09 5.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.887 0.375 . . . . 1.1 111.711 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.514 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.1 t -111.08 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.047 -1.094 . . . . 2.0 108.047 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -132.32 166.82 21.06 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.482 -0.781 . . . . 2.27 110.344 -171.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -114.73 153.99 29.3 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.504 -0.554 . . . . 1.11 109.504 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.56 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.72 -174.39 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.279 0.474 . . . . 0.47 112.279 -178.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.24 70.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.068 -0.253 . . . . 1.34 110.934 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.03 -25.64 11.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.638 -0.505 . . . . 1.59 109.638 176.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.56 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.9 p-10 32.75 43.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.114 1.524 . . . . 1.77 115.114 170.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.1 m -56.98 -65.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.176 -0.61 . . . . 1.26 109.557 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 16.0 ptpt -113.76 12.5 18.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.316 -0.402 . . . . 2.03 111.211 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.49 HG13 ' NE2' ' A' ' 85' ' ' GLN . 3.3 t -109.08 105.29 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 1.15 112.231 -170.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 5.0 mp -98.38 151.29 20.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.909 -0.587 . . . . 1.07 110.493 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG23 ' CG2' ' A' ' 103' ' ' THR . 1.8 p -133.02 109.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.779 0.799 . . . . 1.11 110.802 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.1 mp -120.04 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.572 -0.74 . . . . 1.07 110.201 -177.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 143.52 46.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.848 0.356 . . . . 0.98 110.249 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.8 p -118.67 142.64 32.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.243 -0.435 . . . . 1.06 110.631 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.487 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 19.4 t-20 -131.28 95.78 3.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.178 0.513 . . . . 2.46 111.276 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.4 t30 168.22 -54.46 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.045 -1.434 . . . . 0.81 107.804 172.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 31.9 Cg_exo -60.79 172.95 2.49 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.837 1.692 . . . . 0.47 109.872 153.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.5 130.04 89.76 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.003 -0.74 . . . . 2.5 109.003 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.8 111.68 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.634 2.223 . . . . 0.81 112.417 -173.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 m -137.37 139.49 40.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.257 -0.883 . . . . 1.07 109.643 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.587 ' CG2' HG23 ' A' ' 93' ' ' VAL . 65.7 m -115.76 109.33 17.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.285 0.564 . . . . 1.03 110.523 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -90.33 122.54 33.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.656 -0.702 . . . . 0.98 110.469 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.99 105.27 15.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.621 -0.511 . . . . 0.46 109.621 177.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -84.58 109.68 18.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.498 -0.556 . . . . 0.48 109.498 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.547 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 8.6 m -121.02 136.01 55.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.831 -0.622 . . . . 1.18 111.099 -175.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 114' ' ' ARG . 8.6 t80 -141.73 172.02 13.26 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 0.45 109.86 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 5.7 tmmm? -66.17 -28.82 69.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.411 0.624 . . . . 2.48 109.59 175.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.543 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 34.0 t -96.49 113.12 62.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 1.12 110.067 -174.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 33.0 Cg_exo -61.7 -35.87 77.7 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.559 2.173 . . . . 1.09 111.453 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.31 76.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.63 111.843 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 5.7 tp10 -63.14 -51.36 66.76 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.404 0.621 . . . . 1.14 110.008 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.672 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -70.83 -37.03 73.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.379 -0.828 . . . . 3.42 111.563 -179.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 54.1 mt-10 -59.25 -43.99 92.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.731 -0.387 . . . . 1.68 110.73 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.2 m -67.07 -35.2 79.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.958 -0.564 . . . . 1.44 110.791 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.25 -46.23 71.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.3 109.86 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.514 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.2 tp-100 -53.35 -47.09 69.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.908 -1.042 . . . . 0.74 111.913 -178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.41 -37.77 60.27 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.765 0.283 . . . . 0.47 111.765 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.9 mm100 -63.09 -47.57 82.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.778 0.323 . . . . 0.32 111.863 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.07 -38.4 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 1.06 111.136 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.21 -38.33 90.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.322 -0.399 . . . . 1.44 110.668 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 m -65.97 -37.24 85.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 1.7 110.621 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -66.57 -43.1 85.92 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.619 -0.511 . . . . 1.05 109.619 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.442 ' SD ' HG23 ' A' ' 82' ' ' VAL . 44.7 mtp -59.78 -50.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.98 111.013 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 130' ' ' MET . 47.5 mmtm -69.23 -18.24 63.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.934 -0.575 . . . . 1.93 111.2 -177.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.409 ' O ' ' HE1' ' A' ' 130' ' ' MET . 72.4 t80 -71.66 -52.23 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.025 -0.534 . . . . 0.56 111.531 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -100.93 -22.38 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 2.18 111.914 -172.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.4 t -102.31 25.69 8.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.562 0.696 . . . . 1.19 109.352 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.427 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 13.2 ptp -62.76 135.18 57.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.261 -0.881 . . . . 4.34 110.895 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.424 -0.798 . . . . 4.8 109.664 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.504 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 11.7 t . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.792 0.33 . . . . 2.14 110.115 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.0 70.85 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.831 -0.622 . . . . 1.51 111.743 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -78.17 -43.14 29.47 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.13 -0.486 . . . . 1.91 110.858 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 4.5 m-20 -72.68 -36.56 67.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 2.69 111.482 -176.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.0 tp -62.81 -37.86 80.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-O 121.096 0.474 . . . . 1.25 109.827 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' HG12 ' A' ' 20' ' ' VAL . 50.7 ttt180 -63.73 -45.71 88.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.983 -0.553 . . . . 2.45 110.407 177.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -56.75 -41.79 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.405 -0.361 . . . . 2.36 111.26 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.7 ptpt -74.53 -34.7 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.448 -0.501 . . . . 2.15 110.2 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.7 tmtp? -74.27 -38.5 63.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 1.66 111.392 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 16' ' ' ARG . 32.4 m -66.51 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 110.286 -0.264 . . . . 1.04 110.286 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.6 mmm -64.88 -31.92 73.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.761 0.315 . . . . 3.23 110.541 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.613 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.4 mt-30 -66.62 -46.65 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.34 -0.615 . . . . 1.05 109.34 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CD1' HD21 ' A' ' 124' ' ' LEU . 54.0 m-85 -65.83 -36.55 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.489 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 39.6 ttt180 -57.52 -40.24 78.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.098 -0.956 . . . . 0.71 111.274 -177.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -65.75 -35.99 82.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.333 -0.394 . . . . 3.38 111.174 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 -13.75 59.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.284 0.564 . . . . 0.83 110.744 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.28 -12.66 20.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.342 -0.844 . . . . 1.07 110.994 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.695 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 78.1 m -95.36 103.95 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 1.04 111.404 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.8 173.99 15.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.294 -0.866 . . . . 1.44 112.991 -176.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -98.07 124.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.064 -0.971 . . . . 1.59 108.715 171.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 106' ' ' PHE . 1.2 t -149.05 148.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.77 -0.456 . . . . 1.08 109.77 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.4 tmtp? -102.6 118.49 36.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.105 0.478 . . . . 1.38 110.571 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' A' ' 39' ' ' SER . 25.6 mt -85.72 141.96 29.34 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.778 -0.647 . . . . 1.06 110.677 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.5 mtmt -143.69 106.29 4.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.615 -0.721 . . . . 1.44 109.976 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 37' ' ' LEU . 3.4 t -168.77 -166.89 0.7 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.786 -0.45 . . . . 0.95 109.786 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -68.47 -13.01 62.01 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.571 0.7 . . . . 3.78 110.102 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HB3' HG22 ' A' ' 35' ' ' THR . 19.3 tp -64.92 -59.93 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.007 -0.997 . . . . 1.5 108.913 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.2 p90 174.81 -178.49 0.1 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.052 -0.976 . . . . 1.26 109.207 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.592 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 24.8 p -130.63 100.49 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.425 -0.583 . . . . 0.69 109.425 171.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 10.3 mm-40 -155.22 159.24 39.92 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.961 -0.563 . . . . 2.08 109.748 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 87.3 m -83.02 123.74 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.994 0.426 . . . . 1.06 109.919 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.66 156.45 35.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.842 -0.617 . . . . 1.05 109.823 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 37.2 ttpt -101.06 123.47 45.29 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.672 -0.492 . . . . 2.07 109.672 173.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.695 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.0 158.29 4.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.273 -0.421 . . . . 1.17 110.762 -174.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -176.36 -172.02 0.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.698 -0.853 . . . . 0.99 108.698 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -142.83 167.73 21.39 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.975 -0.29 . . . . 0.68 110.564 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.468 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 14.1 t -58.1 158.49 6.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 1.18 111.382 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -65.33 -20.94 66.63 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.66 -0.7 . . . . 2.59 111.02 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -108.23 9.01 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.71 110.538 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.17 23.94 68.41 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.43 112.727 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' HA ' ' HE1' ' A' ' 128' ' ' MET . 35.4 mt-10 -83.77 -26.84 29.31 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.651 -0.323 . . . . 1.99 111.666 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 47' ' ' SER . 41.9 mt-10 -132.87 156.02 47.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.436 -0.347 . . . . 1.49 111.393 -175.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.8 t -111.43 122.95 66.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.266 -1.013 . . . . 1.06 108.266 168.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 2.6 mm-40 -118.39 161.52 19.82 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.348 -0.242 . . . . 2.12 110.348 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.496 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 11.4 p90 -148.34 149.36 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.551 0.691 . . . . 0.35 111.711 172.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 68.8 m-85 -114.77 114.13 25.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.008 -0.996 . . . . 0.71 109.205 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -82.74 130.36 35.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.77 111.46 -171.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.96 -119.94 5.46 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.041 -0.599 . . . . 1.35 112.886 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.534 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 8.8 mtpm? -82.05 -72.59 0.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.887 0.375 . . . . 5.35 110.978 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.9 t -165.7 124.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.063 -0.517 . . . . 3.96 110.086 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -118.69 12.35 13.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.125 0.488 . . . . 3.38 109.96 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' A' ' 67' ' ' ARG . . . -57.53 124.54 19.36 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.446 -0.797 . . . . 2.03 112.429 -174.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.09 116.13 8.9 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.18 -0.918 . . . . 1.99 113.015 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.54 35.8 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 124.279 0.635 . . . . 2.25 112.21 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 71.44 -39.26 0.44 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.681 0.793 . . . . 4.06 112.304 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -76.35 1.24 16.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.406 0.622 . . . . 2.86 110.955 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 35.9 mtm180 68.31 60.98 0.39 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.755 -1.111 . . . . 3.76 111.869 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.21 18.88 20.59 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.122 0.487 . . . . 2.6 110.485 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -149.91 90.45 4.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 3.47 109.957 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 9.6 Cg_exo -73.29 157.48 49.86 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.466 2.11 . . . . 0.74 112.059 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -93.98 3.27 55.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.567 0.699 . . . . 1.28 109.24 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.14 160.72 22.86 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 110.163 -1.175 . . . . 0.3 110.163 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.19 168.36 27.22 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.235 -0.983 . . . . 0.4 112.732 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.622 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -158.37 154.58 23.92 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.89 -0.411 . . . . 0.27 109.89 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.1 Cg_exo -68.09 138.66 44.33 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.693 2.262 . . . . 0.27 112.315 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.79 -37.52 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.022 -0.99 . . . . 1.09 111.034 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.84 -22.83 64.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.767 -0.651 . . . . 1.29 110.714 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.44 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -87.69 -8.43 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 2.13 111.895 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.622 HG12 ' CE2' ' A' ' 74' ' ' PHE . 27.1 mt -63.39 123.0 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.822 -0.436 . . . . 1.06 109.822 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.466 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 15.2 t -87.45 -33.96 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.62 -0.432 . . . . 1.06 110.904 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m -158.93 135.41 9.28 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.341 . . . . 1.1 111.626 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.423 HG13 ' OE1' ' A' ' 118' ' ' GLN . 79.0 t -118.67 107.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.178 -1.045 . . . . 2.0 108.178 171.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HG3' HG13 ' A' ' 93' ' ' VAL . 13.2 pttt -132.2 168.3 18.28 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.348 -0.842 . . . . 2.27 111.085 -172.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.5 p -122.94 154.3 38.56 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.719 -0.673 . . . . 1.11 109.474 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.59 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.29 -176.02 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.961 0.726 . . . . 0.47 112.961 -174.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.96 90.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 1.34 111.077 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.14 -24.57 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 1.59 109.118 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.59 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.6 p-10 37.21 51.69 1.1 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.447 -1.252 . . . . 1.77 113.172 174.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.1 m -52.38 -66.83 0.32 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.594 -0.521 . . . . 1.26 109.594 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.558 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 15.4 ptpt -115.01 1.44 13.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.939 -0.573 . . . . 2.03 112.394 173.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.497 HG11 ' NE2' ' A' ' 85' ' ' GLN . 12.4 t -99.46 123.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.879 0.696 . . . . 1.15 112.879 -170.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.5 mp -106.2 151.83 24.26 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.919 -0.582 . . . . 1.07 110.022 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -134.32 111.94 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.654 0.74 . . . . 1.11 110.711 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 93' ' ' VAL . 1.9 mp -123.01 131.8 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.138 -0.483 . . . . 1.07 109.786 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -123.66 142.64 50.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.987 0.422 . . . . 0.98 110.499 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG21 ' HD2' ' A' ' 99' ' ' PRO . 2.2 p -118.76 144.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.128 -0.487 . . . . 1.06 110.213 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.466 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 44.6 t-20 -131.67 96.65 4.01 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.459 -0.497 . . . . 2.46 111.587 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.615 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 163.06 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.149 1.38 . . . . 0.81 108.504 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 49.7 Cg_exo -59.07 171.0 2.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.907 1.738 . . . . 0.47 110.302 159.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.18 116.22 18.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.882 -0.414 . . . . 2.5 109.882 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.28 116.35 0.46 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.187 3.258 . . . . 0.81 114.014 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -145.93 135.28 22.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.437 -0.801 . . . . 1.07 109.584 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 86.3 m -112.08 113.3 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.193 0.52 . . . . 1.03 110.103 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -93.57 126.64 38.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.605 -0.725 . . . . 0.98 111.095 -172.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -100.97 103.48 14.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.277 -0.638 . . . . 0.46 109.277 174.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HB3' HG12 ' A' ' 31' ' ' VAL . 89.0 m-85 -84.94 108.95 17.82 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.744 -0.835 . . . . 0.48 108.744 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 139.02 54.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.259 -0.428 . . . . 1.18 110.921 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -139.5 167.73 21.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.211 -0.663 . . . . 0.45 109.211 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.493 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -66.18 -42.37 88.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.944 -0.761 . . . . 2.48 108.944 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.429 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 10.9 t -81.01 112.45 32.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.225 -0.898 . . . . 1.12 110.278 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.505 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 9.9 Cg_endo -55.28 -41.15 81.2 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.496 2.131 . . . . 1.09 111.726 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.1 72.47 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.836 -0.697 . . . . 0.63 112.471 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.2 tp10 -66.84 -53.1 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.392 . . . . 1.14 110.725 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.596 ' NH1' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -74.31 -28.85 61.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 3.42 111.203 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.596 ' HG2' ' NH1' ' A' ' 114' ' ' ARG . 51.8 mm-40 -54.04 -48.47 70.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.563 0.22 . . . . 1.68 110.911 172.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 42.0 m -57.87 -32.62 67.85 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.825 -0.625 . . . . 1.44 110.945 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.508 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.63 -52.72 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.867 0.365 . . . . 0.3 110.604 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.428 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.6 tp-100 -51.82 -49.03 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.35 -0.841 . . . . 0.74 112.12 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.8 pt-20 -74.58 -39.44 62.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.777 0.322 . . . . 0.47 111.814 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 116' ' ' SER . 7.4 mm100 -73.42 -37.91 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.645 0.609 . . . . 0.32 112.645 -172.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.1 tp -61.85 -38.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.663 0.268 . . . . 1.06 110.393 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -63.81 -42.56 97.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.44 110.383 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 m -63.05 -35.64 80.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.7 110.74 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -70.99 -43.95 66.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 1.05 110.114 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.409 ' SD ' HG23 ' A' ' 82' ' ' VAL . 48.2 mtp -57.6 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.98 111.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 130' ' ' MET . 35.3 mmtp -70.85 -19.79 62.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.938 -0.573 . . . . 1.93 110.751 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.422 ' O ' ' HE1' ' A' ' 130' ' ' MET . 52.3 t80 -71.93 -55.85 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.56 111.301 177.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.409 ' HE1' ' HA ' ' A' ' 51' ' ' GLU . 4.2 ppp? -85.89 -26.99 25.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.816 -0.354 . . . . 2.18 111.366 -174.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.8 t -100.85 17.74 21.33 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.951 0.405 . . . . 1.19 110.601 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.559 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 19.9 ptp -63.91 136.3 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.508 -0.553 . . . . 4.34 109.508 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.496 -0.764 . . . . 4.8 109.665 -177.38 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 35.6 t . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.666 -0.494 . . . . 2.14 109.666 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.31 84.07 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.839 -0.619 . . . . 1.51 111.307 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -69.46 -50.01 49.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 1.91 110.23 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 27.9 t70 -63.79 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.951 -0.568 . . . . 2.69 111.202 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.0 tp -63.42 -36.8 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.198 -0.455 . . . . 1.25 110.447 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' O ' HG11 ' A' ' 20' ' ' VAL . 16.6 ttm180 -66.99 -50.21 62.98 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.745 -0.207 . . . . 2.45 110.646 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.472 ' O ' ' HG2' ' A' ' 21' ' ' MET . 64.1 mtt -57.08 -38.94 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.732 0.301 . . . . 2.36 110.973 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.9 ptpt -74.58 -38.52 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.458 -0.497 . . . . 2.15 110.544 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.5 tmtp? -69.4 -40.52 77.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 1.66 110.629 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG11 ' O ' ' A' ' 16' ' ' ARG . 24.7 m -65.44 -31.46 53.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.381 -0.372 . . . . 1.04 110.458 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 17' ' ' MET . 24.2 mmt -65.57 -34.67 78.78 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.707 0.289 . . . . 3.23 110.292 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.668 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.6 mt-30 -64.98 -46.87 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.163 -0.68 . . . . 1.05 109.163 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.67 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 45.8 m-85 -64.12 -38.92 92.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.501 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 34.1 ttt180 -57.71 -40.85 80.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.446 -0.797 . . . . 0.71 111.149 -176.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.8 -34.09 76.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.017 0.437 . . . . 3.38 111.013 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -80.28 -13.17 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.329 0.585 . . . . 0.83 110.559 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.52 -13.55 19.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.502 -0.772 . . . . 1.07 110.902 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 60.7 m -91.19 104.63 17.16 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.569 0.7 . . . . 1.04 111.403 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.63 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.55 173.37 16.4 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.841 -1.072 . . . . 1.44 111.545 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 m -98.95 124.2 52.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.419 -0.956 . . . . 1.59 108.419 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.42 148.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.62 -0.718 . . . . 1.08 109.753 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.6 tmtt? -102.45 118.16 36.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.119 0.485 . . . . 1.38 110.481 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.697 ' O ' ' HA ' ' A' ' 39' ' ' SER . 26.8 mt -85.9 143.87 27.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 1.06 110.687 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 30.0 mtmt -144.47 106.65 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.896 -0.593 . . . . 1.44 110.083 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 37' ' ' LEU . 5.4 t -169.29 -165.81 0.56 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.956 -0.298 . . . . 0.95 110.515 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -63.08 -18.92 63.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.542 0.687 . . . . 3.78 110.084 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 37.4 tp -64.29 -64.86 0.77 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.658 -1.156 . . . . 1.5 109.472 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 10.2 p90 -179.83 -173.23 0.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.381 -0.827 . . . . 1.26 109.032 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.697 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 9.4 p -136.81 99.42 4.03 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.81 -0.441 . . . . 0.69 109.81 172.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -152.03 157.05 41.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 2.08 109.672 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m -81.84 115.69 21.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.189 0.519 . . . . 1.06 110.168 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.14 161.4 15.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.741 -0.663 . . . . 1.05 109.866 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -102.45 122.97 45.36 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.164 -0.68 . . . . 2.07 109.164 172.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.753 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.49 159.1 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.371 -0.377 . . . . 1.17 110.546 -174.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t -176.53 -169.72 0.3 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.248 -1.019 . . . . 0.99 108.248 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 31.8 p -140.94 174.4 10.55 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.805 -0.358 . . . . 0.68 110.407 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 t -62.16 163.42 8.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.201 0.524 . . . . 1.18 110.706 176.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -73.6 -15.89 61.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.559 -0.746 . . . . 2.59 110.292 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -104.13 0.47 29.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.71 109.708 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' HD13 ' A' ' 124' ' ' LEU . . . 71.63 6.73 63.38 Favored Glycine 0 C--O 1.222 -0.648 0 CA-C-N 115.645 -0.707 . . . . 0.43 112.845 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 46.6 mt-10 -82.56 -7.58 59.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.328 0.492 . . . . 1.99 112.328 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 47' ' ' SER . 24.4 mt-10 -142.95 147.84 35.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.692 -0.231 . . . . 1.49 110.937 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.4 t -100.55 138.54 24.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.877 -1.157 . . . . 1.06 107.877 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . 2.7 pt20 -148.28 150.08 33.02 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.953 -0.299 . . . . 2.12 110.269 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -141.85 162.02 36.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.403 0.621 . . . . 0.35 111.551 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 38.2 m-85 -118.89 126.3 51.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.863 -1.062 . . . . 0.71 108.914 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -89.75 106.08 18.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.189 0.518 . . . . 1.77 111.683 -171.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.59 -90.35 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.145 -0.934 . . . . 1.35 113.204 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -64.7 162.62 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.229 0.538 . . . . 5.35 111.636 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -79.82 62.47 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.541 -0.754 . . . . 3.96 111.422 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.2 m -67.45 118.71 11.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 3.38 110.034 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 67' ' ' ARG . . . -147.93 153.62 39.3 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.695 0.283 . . . . 2.03 110.524 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' H ' ' HA ' ' A' ' 67' ' ' ARG . . . -75.89 -129.82 0.3 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.063 -0.589 . . . . 1.99 111.769 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.9 68.44 3.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.444 0.164 . . . . 2.25 110.699 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 71.9 -43.63 0.57 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.582 0.753 . . . . 4.06 112.315 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.86 5.1 8.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.031 0.443 . . . . 2.86 111.748 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.48 ' HA ' ' H ' ' A' ' 63' ' ' GLY . 49.0 mtt180 63.18 55.39 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.293 -0.867 . . . . 3.76 112.652 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.85 53.39 0.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.199 0.523 . . . . 2.6 110.19 174.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -152.72 74.97 7.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.652 -0.704 . . . . 3.47 109.239 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.541 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 12.0 Cg_exo -71.4 156.51 58.39 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.057 2.505 . . . . 0.74 113.127 -176.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -91.44 -10.11 42.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.323 -0.853 . . . . 1.28 110.302 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 178.8 47.6 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.066 -0.814 . . . . 0.3 111.066 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.24 -176.26 27.15 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.384 -0.912 . . . . 0.4 112.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CE2' HG12 ' A' ' 79' ' ' ILE . 1.7 p90 -167.07 157.25 10.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 122.352 0.261 . . . . 0.27 110.35 -175.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.9 137.2 40.76 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.27 112.681 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 55.7 t -66.76 -35.26 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.245 -0.889 . . . . 1.09 111.549 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.8 -17.95 64.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.188 0.518 . . . . 1.29 110.746 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.37 -5.75 42.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 2.13 111.951 -176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 74' ' ' PHE . 12.0 mt -64.09 116.54 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.437 -0.579 . . . . 1.06 109.437 175.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.493 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 t -82.75 -33.51 27.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.648 -0.421 . . . . 1.06 110.905 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 m -159.89 131.53 6.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.86 0.362 . . . . 1.1 111.573 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.453 HG11 ' OE1' ' A' ' 118' ' ' GLN . 74.1 t -110.28 107.82 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.449 -0.945 . . . . 2.0 108.449 171.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HB2' HG13 ' A' ' 93' ' ' VAL . 8.5 mtpp -126.95 166.75 16.94 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.35 -0.841 . . . . 2.27 111.298 -171.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 p -119.12 154.57 33.03 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.639 -0.874 . . . . 1.11 108.639 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.592 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -58.86 177.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.334 0.494 . . . . 0.47 112.334 -175.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.65 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.59 0.233 . . . . 1.34 111.176 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.67 -22.96 10.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.566 -0.531 . . . . 1.59 109.566 174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.592 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.5 p30 37.5 55.37 1.44 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.591 -1.186 . . . . 1.77 113.644 171.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.1 m -56.73 -67.07 0.34 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.454 -0.498 . . . . 1.26 109.901 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' O ' HG22 ' A' ' 107' ' ' THR . 18.7 ptmt -114.44 4.48 15.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.244 -0.434 . . . . 2.03 112.112 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.6 134.6 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.67 0.618 . . . . 1.15 112.67 -170.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.9 mp -114.95 152.22 32.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.274 0.63 . . . . 1.07 109.833 174.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.4 p -134.05 109.43 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.577 0.703 . . . . 1.11 111.018 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.0 mp -120.93 125.09 73.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 1.07 110.404 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 m -114.8 142.5 46.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 0.98 110.536 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.555 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.2 p -120.13 142.7 34.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 1.06 110.972 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.493 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 27.0 t-20 -117.96 140.44 49.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.328 -0.396 . . . . 2.46 110.428 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.505 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 9.2 t30 100.71 -58.34 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.58 1.552 . . . . 0.81 111.432 -177.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 51.8 Cg_exo -58.69 170.85 2.3 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.482 1.455 . . . . 0.47 111.142 162.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -60.71 115.78 15.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.38 -0.6 . . . . 2.5 109.38 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.72 112.78 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.411 2.741 . . . . 0.81 113.108 -172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -143.79 140.06 29.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.295 -0.866 . . . . 1.07 109.121 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 93' ' ' VAL . 97.7 m -116.43 108.64 16.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.307 0.575 . . . . 1.03 109.878 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -89.47 123.18 33.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.596 -0.729 . . . . 0.98 110.971 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.565 ' N ' HD21 ' A' ' 105' ' ' ASN . 0.7 OUTLIER -100.07 103.67 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.554 -0.535 . . . . 0.46 109.554 177.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.0 109.82 18.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.118 -0.697 . . . . 0.48 109.118 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.495 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 28.4 m -122.18 138.01 54.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.863 -0.608 . . . . 1.18 110.728 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -141.25 165.22 28.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.868 -0.419 . . . . 0.45 109.868 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.91 -25.78 67.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.099 0.476 . . . . 2.48 110.201 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 23.2 t -98.72 109.81 54.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.669 . . . . 1.12 110.153 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 110' ' ' SER . 6.7 Cg_endo -50.87 -39.61 58.36 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.805 2.337 . . . . 1.09 111.886 172.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.95 81.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.542 -0.837 . . . . 0.63 112.41 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -52.61 61.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 1.14 111.46 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.567 ' NH1' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -72.31 -36.02 68.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.58 -0.448 . . . . 3.42 110.867 -176.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.567 ' HG3' ' NH1' ' A' ' 114' ' ' ARG . 23.7 mt-10 -58.02 -41.46 83.19 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.846 -0.342 . . . . 1.68 110.734 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 m -59.01 -33.79 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 120.852 0.358 . . . . 1.44 110.386 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.537 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -72.1 -49.31 37.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 0.3 109.853 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.453 ' OE1' HG11 ' A' ' 82' ' ' VAL . 6.9 tp-100 -51.26 -50.25 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.759 -1.109 . . . . 0.74 112.14 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.62 -41.61 60.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.806 0.336 . . . . 0.47 111.731 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 6.4 mm100 -68.61 -38.49 80.64 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.309 0.485 . . . . 0.32 112.309 -173.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.5 tp -62.74 -37.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.035 -0.266 . . . . 1.06 110.438 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.444 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.8 mt-30 -68.24 -38.84 82.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.43 . . . . 1.44 110.428 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.8 t -62.23 -37.98 87.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.65 -0.704 . . . . 1.7 110.069 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 23' ' ' TYR . 2.5 tm? -68.38 -47.97 65.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 1.05 110.296 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 122' ' ' GLN . 46.1 mtp -53.35 -52.51 58.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.98 111.491 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 129' ' ' SER . 74.3 mmtt -73.75 -26.76 60.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.122 -0.49 . . . . 1.93 111.268 -175.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.61 -42.42 92.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.832 0.348 . . . . 0.56 110.234 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 9.8 ptm -92.18 -20.75 20.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.445 -0.343 . . . . 2.18 111.039 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.554 ' HB3' ' HA ' ' A' ' 126' ' ' LYS . 11.4 t -73.7 -43.19 59.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.28 0.562 . . . . 1.19 110.966 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.28 117.08 18.44 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.325 -0.852 . . . . 4.34 109.828 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.276 -0.869 . . . . 4.8 109.979 -178.427 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 12.6 t . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.802 -0.444 . . . . 2.14 109.802 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.33 94.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.536 -0.757 . . . . 1.51 111.546 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.3 m -69.17 -46.53 67.3 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.108 -0.496 . . . . 1.91 110.981 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 4.3 m-20 -66.43 -46.5 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.393 . . . . 2.69 111.674 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 tp -62.91 -36.09 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 1.25 110.205 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.5 ttm180 -64.04 -48.35 76.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.407 -0.36 . . . . 2.45 110.288 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 13' ' ' SER . 92.8 mtp -56.02 -39.11 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.608 0.242 . . . . 2.36 111.319 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 12.4 ptpt -75.77 -34.02 60.23 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.416 -0.513 . . . . 2.15 110.673 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tmtp? -75.44 -39.56 58.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.725 0.297 . . . . 1.66 111.323 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 49' ' ' ASP . 33.1 m -65.34 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.418 -0.355 . . . . 1.04 110.943 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 20.9 ptt? -71.22 -28.58 64.3 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 3.23 109.991 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 36.0 mt-30 -66.28 -49.89 65.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.013 -0.736 . . . . 1.05 109.013 172.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 47.4 m-85 -61.76 -31.22 71.39 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.312 175.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -61.02 -38.61 86.72 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.679 -0.691 . . . . 0.71 110.856 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' A' ' 21' ' ' MET . 2.3 mpp_? -64.67 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.097 0.475 . . . . 3.38 110.394 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -84.24 -15.58 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.83 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -100.02 -13.87 18.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.822 -0.626 . . . . 1.07 110.633 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.546 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 91.9 m -83.03 104.8 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.568 -0.53 . . . . 1.04 109.568 175.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -147.64 164.81 32.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.697 -0.683 . . . . 1.44 110.182 -174.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -103.17 127.27 57.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.725 -0.843 . . . . 1.59 108.725 170.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.63 160.23 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 1.08 110.27 -172.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -113.31 124.7 53.11 Favored 'General case' 0 C--N 1.313 -1.007 0 O-C-N 121.921 -0.487 . . . . 1.38 110.194 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.633 ' O ' ' HA ' ' A' ' 39' ' ' SER . 23.9 mt -90.34 142.61 27.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.06 111.255 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 32.8 mtmt -144.41 106.4 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 1.44 109.92 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.429 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.5 t -169.45 -166.59 0.61 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 121.073 -0.251 . . . . 0.95 110.554 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.89 -14.45 62.78 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.541 0.686 . . . . 3.78 110.144 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 24.8 tp -65.57 -64.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.036 -0.983 . . . . 1.5 109.192 172.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.531 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 178.62 -175.99 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.23 -0.895 . . . . 1.26 109.176 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.55 101.23 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 0.69 109.599 171.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -153.24 159.31 42.58 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.274 -0.421 . . . . 2.08 109.965 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 26.3 m -83.35 124.49 30.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.496 -0.557 . . . . 1.06 109.496 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.84 153.9 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.908 -0.587 . . . . 1.05 109.828 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 29.8 ttmt -100.11 119.63 38.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.029 -0.73 . . . . 2.07 109.029 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.15 156.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.133 0.492 . . . . 1.17 110.726 -174.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -174.17 -172.22 0.68 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.988 -1.005 . . . . 0.99 108.438 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.7 p -129.15 169.66 14.5 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.698 -0.401 . . . . 0.68 110.431 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 52' ' ' GLU . 27.6 t -63.36 165.9 7.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 1.18 110.53 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.963 0.411 . . . . 2.59 110.25 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' C ' HG23 ' A' ' 20' ' ' VAL . 3.2 m-20 -94.73 -0.99 53.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.71 110.136 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.28 4.47 73.81 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.963 -0.562 . . . . 0.43 112.624 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -73.38 1.07 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.025 0.38 . . . . 1.99 112.025 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 47' ' ' SER . 20.7 tt0 -153.62 150.87 29.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.936 -0.306 . . . . 1.49 111.657 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.98 115.69 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.961 -1.126 . . . . 1.06 107.961 167.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.03 161.51 27.39 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.507 0.194 . . . . 2.12 110.653 -171.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 6.0 p90 -147.65 156.72 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 0.35 112.516 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 67' ' ' ARG . 63.2 m-85 -115.1 112.02 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.911 -1.04 . . . . 0.71 109.189 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -86.87 149.83 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 1.77 111.986 -170.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.63 -84.65 1.15 Allowed Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.641 -0.709 . . . . 1.35 112.172 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -142.72 -54.51 0.41 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.988 -0.375 . . . . 5.35 109.988 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.9 t -164.52 103.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.062 0.458 . . . . 3.96 110.663 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.1 p -110.72 31.62 5.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.941 -0.572 . . . . 3.38 109.549 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 67' ' ' ARG . . . -66.0 107.38 1.86 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.361 -0.836 . . . . 2.03 112.105 -173.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 69' ' ' LYS . . . -50.12 132.36 28.88 Favored Glycine 0 CA--C 1.509 -0.342 0 CA-C-N 115.351 -0.841 . . . . 1.99 113.962 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 46.66 31.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.482 0.713 . . . . 2.25 112.874 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 67' ' ' ARG . 28.9 mm-40 72.11 -40.98 0.49 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.402 0.681 . . . . 4.06 112.278 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.51 12.9 1.78 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.986 0.422 . . . . 2.86 110.899 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.7 mtm180 61.52 55.74 2.73 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.3 -0.864 . . . . 3.76 110.098 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -92.65 -22.84 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.842 . . . . 2.6 109.958 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -122.6 104.62 36.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.25 -0.887 . . . . 3.47 109.856 -175.091 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 7.6 Cg_exo -74.29 166.47 29.44 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.919 2.413 . . . . 0.74 111.826 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -100.15 4.54 44.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 1.28 109.384 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.83 176.89 39.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.665 -0.974 . . . . 0.3 110.665 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 151.63 157.65 8.0 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.124 -1.036 . . . . 0.4 113.049 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -138.44 150.98 68.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.802 -0.444 . . . . 0.27 109.802 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.58 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 24.1 Cg_exo -64.22 143.52 83.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.27 112.715 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.56 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 56.0 t -71.14 -38.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.981 -1.009 . . . . 1.09 111.925 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.13 -14.92 61.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 1.29 110.399 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -92.24 -5.89 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 2.13 111.363 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.646 HG12 ' CE2' ' A' ' 74' ' ' PHE . 20.9 mt -65.16 124.77 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.34 -0.615 . . . . 1.06 109.34 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.524 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.6 t -87.13 -30.52 21.01 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.617 -0.433 . . . . 1.06 111.016 -175.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.1 m -158.18 136.21 10.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 1.1 111.355 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 p -117.45 106.78 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.475 -0.935 . . . . 2.0 108.475 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HG3' HG13 ' A' ' 93' ' ' VAL . 14.9 pttt -135.27 168.06 19.88 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.142 -0.935 . . . . 2.27 111.312 -172.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -128.61 153.58 47.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.314 -0.857 . . . . 1.11 108.942 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.436 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.4 OUTLIER -60.86 167.26 2.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 0.47 111.183 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 1.34 111.886 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.52 -22.26 10.89 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.586 -0.524 . . . . 1.59 109.586 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.436 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.6 p30 37.97 53.52 1.59 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.102 -0.954 . . . . 1.77 112.987 175.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 90' ' ' LYS . 48.0 m -47.77 -71.05 0.08 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.598 -0.274 . . . . 1.26 110.814 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 91.7 mttt -116.22 8.54 14.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.54 0.209 . . . . 2.03 111.363 170.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 3.0 t -101.49 119.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.781 0.66 . . . . 1.15 112.781 -171.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 3.5 mp -105.69 152.22 23.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 1.07 109.792 171.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.462 HG13 ' HG3' ' A' ' 83' ' ' LYS . 2.3 p -137.6 113.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.447 0.642 . . . . 1.11 111.128 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -128.0 130.2 69.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.292 -0.413 . . . . 1.07 110.084 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -119.61 142.01 48.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.898 0.38 . . . . 0.98 110.734 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.49 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 1.5 p -118.84 140.74 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 1.06 110.876 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.524 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 18.2 t-20 -134.84 96.67 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.938 0.399 . . . . 2.46 111.517 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.61 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 164.87 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.195 1.398 . . . . 0.81 107.846 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.1 Cg_exo -64.27 172.05 6.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.726 1.617 . . . . 0.47 109.28 154.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.73 113.36 7.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.852 -0.425 . . . . 2.5 109.852 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -43.88 115.3 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.915 3.076 . . . . 0.81 113.727 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 m -138.08 145.64 41.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.159 -0.928 . . . . 1.07 109.357 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.6 m -117.49 110.76 18.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.063 0.459 . . . . 1.03 110.055 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -91.99 125.77 36.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.056 -0.52 . . . . 0.98 110.69 -174.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.6 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.03 106.39 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.652 -0.499 . . . . 0.46 109.652 176.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -84.87 111.36 19.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.529 -0.545 . . . . 0.48 109.529 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.563 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 17.8 m -120.28 138.54 53.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 1.18 110.238 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -140.46 178.42 7.33 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.768 -0.373 . . . . 0.45 110.062 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' O ' ' HE2' ' A' ' 90' ' ' LYS . 1.5 tmtp? -73.01 -38.9 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.21 -0.663 . . . . 2.48 109.21 174.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -84.32 124.3 73.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.301 -0.863 . . . . 1.12 111.036 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.569 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 16.0 Cg_exo -67.83 -24.35 40.46 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.409 2.073 . . . . 1.09 110.986 172.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.47 -38.81 10.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.89 -0.671 . . . . 0.63 112.786 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -56.25 -46.6 79.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.373 0.606 . . . . 1.14 111.108 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.676 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.2 OUTLIER -70.0 -40.12 75.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.463 -0.79 . . . . 3.42 110.733 -174.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 23.1 mt-10 -66.95 -35.0 78.99 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.633 0.254 . . . . 1.68 110.715 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -56.62 -38.24 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.402 -0.592 . . . . 1.44 109.402 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -46.65 54.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.3 110.113 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -55.42 -49.83 71.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.454 -0.794 . . . . 0.74 111.989 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 12.1 pt-20 -70.88 -32.88 70.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 0.47 111.263 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.49 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.6 mm100 -76.29 -42.34 45.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.32 112.332 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.9 tp -62.67 -35.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.464 -0.334 . . . . 1.06 110.131 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 43.7 mt-30 -56.75 -45.4 82.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.241 0.543 . . . . 1.44 110.071 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 m -67.41 -42.19 83.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.443 -0.799 . . . . 1.7 111.185 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -65.54 -47.06 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.073 -0.343 . . . . 1.05 110.073 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.56 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 40.2 mtp -54.88 -52.32 63.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.98 111.288 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 130' ' ' MET . 73.5 mmtt -71.27 -32.66 68.95 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.32 -0.4 . . . . 1.93 110.801 -176.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.401 ' HE1' ' HA ' ' A' ' 16' ' ' ARG . 86.9 t80 -53.65 -42.82 68.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.891 0.377 . . . . 0.56 111.138 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.0 ptm -97.83 -23.94 15.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.449 -0.341 . . . . 2.18 111.758 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.2 t -95.58 -2.32 48.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.056 0.391 . . . . 1.19 112.056 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 28.0 mtt -70.38 -170.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.002 0.43 . . . . 4.34 111.146 176.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.289 -0.863 . . . . 4.8 111.223 177.019 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.15 -0.315 . . . . 2.14 110.15 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.27 61.19 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.725 1.009 . . . . 1.51 113.725 -167.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -79.15 -40.14 31.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 1.91 110.777 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.35 -48.04 79.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 2.69 111.034 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.0 tp -60.48 -37.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.897 0.379 . . . . 1.25 110.028 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttm180 -62.16 -46.74 87.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.999 -0.546 . . . . 2.45 110.76 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.9 mtt -56.83 -40.33 75.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.573 -0.285 . . . . 2.36 111.061 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 15' ' ' ILE . 25.5 pttt -76.06 -37.34 58.37 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.446 -0.501 . . . . 2.15 110.395 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.1 tmtp? -71.74 -37.07 70.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 1.66 110.678 -173.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.1 m -65.93 -31.3 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.253 -0.43 . . . . 1.04 110.21 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.3 mmm -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 3.23 110.489 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.593 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 44.2 mt-30 -66.94 -47.06 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.119 -0.697 . . . . 1.05 109.119 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CD1' HD21 ' A' ' 124' ' ' LEU . 48.9 m-85 -63.63 -33.83 76.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.506 -0.77 . . . . 1.0 110.584 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 43.7 ttt180 -61.05 -41.2 96.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.675 -0.693 . . . . 0.71 110.886 -176.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.981 0.42 . . . . 3.38 110.287 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -78.26 -24.04 47.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.845 -0.616 . . . . 0.83 110.906 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 46' ' ' CYS . 1.5 mp -91.69 -18.69 23.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 1.07 110.51 177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 86.6 m -75.81 106.12 7.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.226 -0.657 . . . . 1.04 109.226 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 169.78 21.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.107 -0.497 . . . . 1.44 110.149 -175.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.02 125.65 63.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.859 -0.793 . . . . 1.59 108.859 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.26 149.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.818 0.342 . . . . 1.08 110.672 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.0 tmtt? -99.33 118.0 35.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.999 0.428 . . . . 1.38 110.253 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.2 mt -85.96 144.21 27.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 1.06 110.909 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -143.03 106.28 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.68 -0.691 . . . . 1.44 109.527 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 3.7 t -169.04 -169.43 0.97 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.162 -0.31 . . . . 0.95 110.162 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.04 -15.51 59.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.317 0.58 . . . . 3.78 110.395 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 35' ' ' THR . 50.6 tp -64.84 -57.58 8.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.27 -0.877 . . . . 1.5 108.91 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 170.54 -169.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 124.154 0.909 . . . . 1.26 108.842 177.427 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.2 p -137.39 100.75 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.026 -0.361 . . . . 0.69 110.026 173.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.603 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.8 mm-40 -158.69 163.81 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.051 -0.522 . . . . 2.08 110.338 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 55.2 m -83.22 122.2 28.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.139 0.495 . . . . 1.06 110.614 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.55 164.95 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.718 -0.674 . . . . 1.05 109.73 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -109.3 121.78 45.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.906 -0.776 . . . . 2.07 108.906 171.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.72 160.94 3.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 110.174 -0.306 . . . . 1.17 110.174 -175.073 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -179.53 -173.04 0.24 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.859 -0.793 . . . . 0.99 108.859 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.519 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -134.15 164.27 27.73 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.567 -0.531 . . . . 0.68 109.567 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -72.92 172.31 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.273 -0.269 . . . . 1.18 110.273 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.66 -45.55 91.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.512 0.56 . . . . 2.59 112.512 -170.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.82 3.09 46.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.643 0.258 . . . . 0.71 110.967 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.13 -3.02 59.31 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 121.068 -0.587 . . . . 0.43 113.047 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.93 -28.48 69.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 1.99 111.876 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.85 149.96 49.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.878 0.325 . . . . 1.49 111.878 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.475 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 55.4 t -106.1 129.93 58.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.084 -1.08 . . . . 1.06 108.084 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -135.1 153.35 52.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.812 0.339 . . . . 2.12 110.572 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -143.19 154.64 44.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.807 0.813 . . . . 0.35 111.603 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.74 102.69 10.96 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.786 -1.097 . . . . 0.71 109.258 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.591 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 48.0 mtmt -81.47 113.99 19.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.207 -0.451 . . . . 1.77 110.589 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.94 -131.99 25.96 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.688 -0.687 . . . . 1.35 112.283 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -95.69 55.23 1.63 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.399 0.619 . . . . 5.35 110.547 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -60.41 142.37 55.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.455 -0.793 . . . . 3.96 109.921 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 23.2 m -57.36 117.99 4.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.229 -0.441 . . . . 3.38 110.225 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.714 ' C ' ' HA ' ' A' ' 67' ' ' ARG . . . -81.45 49.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 2.03 112.133 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 16.23 -122.97 0.01 OUTLIER Glycine 0 N--CA 1.465 0.598 0 O-C-N 124.889 1.368 . . . . 1.99 115.872 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 63.32 7.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.448 -0.376 . . . . 2.25 111.346 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.432 ' C ' ' H ' ' A' ' 67' ' ' ARG . 64.2 mm-40 71.44 -51.53 0.69 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.794 0.838 . . . . 4.06 111.888 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.09 14.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.205 0.526 . . . . 2.86 110.775 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.714 ' HA ' ' C ' ' A' ' 62' ' ' ALA . 3.8 mtt180 57.46 77.81 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 114.798 -1.092 . . . . 3.76 110.549 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -93.46 16.0 14.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.885 . . . . 2.6 110.629 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HB3' ' O ' ' A' ' 61' ' ' THR . 3.5 tppp? -131.23 85.46 53.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.198 0.523 . . . . 3.47 110.582 -176.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.67 162.48 41.16 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.953 2.435 . . . . 0.74 111.84 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.6 t -106.81 13.66 27.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.637 0.732 . . . . 1.28 109.299 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.0 156.47 11.6 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.087 -0.961 . . . . 0.3 111.089 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.25 159.84 23.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.616 -0.802 . . . . 0.4 112.356 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.695 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -156.5 156.77 30.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.215 -0.291 . . . . 0.27 110.215 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 4.4 Cg_exo -72.24 139.99 33.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.731 2.287 . . . . 0.27 112.735 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.516 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 2.4 t -63.15 -40.6 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.635 -1.166 . . . . 1.09 112.334 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.43 -11.04 60.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.861 0.362 . . . . 1.29 111.358 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -95.46 -7.6 37.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 2.13 111.194 -178.384 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.695 HG12 ' CE2' ' A' ' 74' ' ' PHE . 25.0 mt -64.07 112.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.593 -0.521 . . . . 1.06 109.593 174.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.515 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 13.4 t -78.64 -29.19 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.497 -0.319 . . . . 1.06 111.032 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' HE2' ' A' ' 83' ' ' LYS . 64.6 m -157.72 131.21 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.893 0.378 . . . . 1.1 111.477 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.88 106.55 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.496 -0.927 . . . . 2.0 108.496 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -139.1 166.05 25.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.506 0.67 . . . . 2.27 111.292 -170.264 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 p -109.82 154.81 22.48 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.655 -0.869 . . . . 1.11 108.655 170.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.603 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -56.97 179.58 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.139 0.422 . . . . 0.47 112.139 -178.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.87 75.31 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.804 -0.359 . . . . 1.34 110.295 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.77 -26.12 14.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.306 0.574 . . . . 1.59 110.122 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.603 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.9 p-10 30.15 42.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 113.511 -1.677 . . . . 1.77 114.532 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.5 m -53.35 -68.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.761 0.315 . . . . 1.26 110.295 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 5.8 ptpp? -113.39 13.48 18.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.368 -0.378 . . . . 2.03 110.863 171.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 85' ' ' GLN . 2.3 t -111.44 128.09 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.857 0.688 . . . . 1.15 112.857 -169.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.4 mp -111.86 152.36 28.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.955 -0.566 . . . . 1.07 109.926 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.41 HG21 ' CG2' ' A' ' 103' ' ' THR . 2.4 p -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.76 0.791 . . . . 1.11 111.407 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.0 mp -119.96 131.71 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.715 . . . . 1.07 109.781 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -123.26 144.34 49.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.616 0.246 . . . . 0.98 110.492 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -118.52 146.57 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.512 -0.313 . . . . 1.06 111.284 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.515 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 26.6 t-20 -123.79 138.24 54.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.327 -0.397 . . . . 2.46 110.282 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.2 t30 102.33 -59.8 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.594 1.558 . . . . 0.81 111.069 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.5 172.37 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.494 1.463 . . . . 0.47 110.889 161.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.66 113.99 8.46 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.85 -0.426 . . . . 2.5 109.85 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.85 112.51 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.623 2.882 . . . . 0.81 113.105 -172.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -144.35 146.19 32.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.266 -0.879 . . . . 1.07 109.609 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.41 ' CG2' HG21 ' A' ' 93' ' ' VAL . 93.9 m -120.44 108.52 14.21 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.558 -0.534 . . . . 1.03 109.558 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -90.03 122.38 32.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.959 -0.564 . . . . 0.98 110.861 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.578 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.03 105.36 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.46 109.445 177.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -84.61 110.86 19.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.437 -0.579 . . . . 0.48 109.437 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.541 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 19.0 m -120.98 136.24 55.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.686 -0.688 . . . . 1.18 110.377 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -141.35 172.14 13.09 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.73 -0.388 . . . . 0.45 110.217 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.58 -42.26 78.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.2 0.524 . . . . 2.48 109.645 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -72.25 124.1 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.555 -0.748 . . . . 1.12 111.425 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.413 ' C ' HH21 ' A' ' 114' ' ' ARG . 13.0 Cg_exo -70.8 2.34 4.21 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.589 2.193 . . . . 1.09 111.751 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.99 -45.04 0.9 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.735 -0.745 . . . . 0.63 112.509 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.44 -45.18 55.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.582 0.586 . . . . 1.14 112.582 -171.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.67 -47.44 63.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.871 -0.604 . . . . 3.42 110.925 -172.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.75 -32.12 70.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.436 -0.347 . . . . 1.68 111.336 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.459 . . . . 1.44 109.824 170.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -72.49 -45.04 61.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.3 109.459 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.657 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.0 tp-100 -51.93 -50.26 61.51 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.033 -0.985 . . . . 0.74 112.242 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.56 -29.52 64.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.118 0.485 . . . . 0.47 111.051 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.1 mm100 -75.69 -45.53 36.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.103 -0.499 . . . . 0.32 111.753 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 125' ' ' MET . 6.8 tp -60.07 -44.31 94.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.501 -0.318 . . . . 1.06 110.76 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 8.1 pt20 -69.38 -31.57 70.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 1.44 110.874 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.4 m -71.33 -34.96 71.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.298 -0.41 . . . . 1.7 110.221 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -66.51 -45.35 79.83 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.292 -0.633 . . . . 1.05 109.292 174.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.516 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.5 mtp -54.17 -53.81 48.31 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.98 110.729 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.417 ' HB3' ' HE3' ' A' ' 130' ' ' MET . 74.2 mmtt -71.27 -28.28 64.03 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.553 -0.294 . . . . 1.93 111.13 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -55.08 -40.61 70.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.894 0.378 . . . . 0.56 110.823 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ptp -103.54 -20.41 14.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 2.18 111.475 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 126' ' ' LYS . 35.9 m -81.77 -21.51 37.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.068 0.395 . . . . 1.19 112.068 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 126' ' ' LYS . 52.1 mtt -69.45 97.96 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.49 -0.559 . . . . 4.34 109.49 174.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.426 -0.797 . . . . 4.8 110.473 -175.158 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 109.934 -0.395 . . . . 2.14 109.934 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.52 -57.71 9.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.036 0.754 . . . . 1.51 113.036 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.8 m -68.37 -39.53 81.75 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.714 0.293 . . . . 1.91 111.475 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -63.07 -49.34 74.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 2.69 111.148 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.5 tp -66.12 -36.71 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 109.87 -0.418 . . . . 1.25 109.87 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' O ' HG12 ' A' ' 20' ' ' VAL . 16.5 ttm180 -60.65 -47.01 88.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.075 -0.511 . . . . 2.45 111.187 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.9 -38.62 82.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.707 0.289 . . . . 2.36 111.318 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 17.4 ptpt -75.59 -34.68 60.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.524 -0.471 . . . . 2.15 110.036 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.6 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.4 tmtp? -73.35 -39.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 1.66 111.104 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 16' ' ' ARG . 32.9 m -63.73 -31.17 52.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.605 -0.27 . . . . 1.04 110.316 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.021 0.438 . . . . 3.23 110.436 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.555 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 35.7 mt-30 -66.07 -40.29 90.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.795 -0.639 . . . . 1.05 109.591 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -70.6 -36.1 73.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.298 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 27.3 ttt180 -58.94 -42.11 89.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.71 110.891 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -65.44 -33.51 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.847 0.356 . . . . 3.38 110.786 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -17.3 50.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.288 0.566 . . . . 0.83 110.931 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.11 -14.24 21.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.899 -0.592 . . . . 1.07 110.725 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.4 m -84.77 105.79 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.144 0.497 . . . . 1.04 110.18 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.0 mptm? -150.6 171.14 17.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.384 -0.825 . . . . 1.44 109.417 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' A' ' 108' ' ' PHE . 1.1 t -108.86 129.71 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 107.696 -1.224 . . . . 1.59 107.696 166.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.15 148.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.976 -0.556 . . . . 1.08 109.643 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 8.1 tmtt? -100.23 118.74 37.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.079 0.466 . . . . 1.38 110.619 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.712 ' O ' ' HA ' ' A' ' 39' ' ' SER . 21.0 mt -85.64 145.56 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.68 -0.691 . . . . 1.06 110.618 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.9 mtmt -145.96 106.6 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 1.44 109.889 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 37' ' ' LEU . 4.1 t -169.14 -168.29 0.82 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.267 -0.272 . . . . 0.95 110.267 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -60.27 -21.0 61.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.321 0.581 . . . . 3.78 110.254 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -64.35 -62.6 1.5 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 1.5 109.69 176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 177.88 -175.42 0.17 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.755 -0.657 . . . . 1.26 109.408 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.712 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 44.1 p -133.42 99.15 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.766 -0.457 . . . . 0.69 109.766 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 76.7 mm-40 -153.32 157.98 40.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.815 -0.439 . . . . 2.08 109.815 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 84.8 m -80.53 119.65 23.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 1.06 109.711 174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.43 152.51 20.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.465 -0.789 . . . . 1.05 109.213 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 40.3 ttpt -97.22 119.86 36.5 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.779 -0.822 . . . . 2.07 108.779 173.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.2 152.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.784 -0.45 . . . . 1.17 109.784 -173.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 t -171.38 -171.02 0.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.552 -0.907 . . . . 0.99 108.552 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.7 p -144.17 164.79 29.68 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.771 -0.372 . . . . 0.68 111.092 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 t -60.75 160.08 9.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.82 -0.627 . . . . 1.18 110.869 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.81 -13.3 62.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 2.59 112.105 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -110.43 8.2 23.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.04 0.448 . . . . 0.71 110.072 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.36 23.38 64.44 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.339 -0.846 . . . . 0.43 112.682 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.55 -12.17 54.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 1.99 111.436 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -149.79 148.01 28.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.798 -0.361 . . . . 1.49 111.06 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -109.13 126.41 66.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.763 -0.829 . . . . 1.06 108.763 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 5.0 mm-40 -120.4 159.79 24.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.549 0.214 . . . . 2.12 110.538 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.2 151.41 36.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.525 0.679 . . . . 0.35 111.377 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.753 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 54.3 m-85 -117.36 112.85 21.27 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.101 -0.954 . . . . 0.71 109.335 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.462 ' H ' ' HB3' ' A' ' 71' ' ' SER . 44.9 mtmt -78.84 126.2 30.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.252 -0.431 . . . . 1.77 111.391 -173.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.57 -80.0 1.34 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.148 -0.549 . . . . 1.35 112.572 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -85.48 141.73 29.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.059 -0.348 . . . . 5.35 110.059 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -79.71 53.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 3.96 111.01 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -58.22 157.29 8.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.452 -0.795 . . . . 3.38 111.447 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.443 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -158.87 98.78 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 2.03 110.233 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.465 ' HA3' ' N ' ' A' ' 69' ' ' LYS . . . -48.34 120.61 6.63 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.304 -0.862 . . . . 1.99 114.33 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . 47.56 36.5 5.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.502 0.721 . . . . 2.25 112.556 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 71.2 -30.55 0.21 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.255 0.622 . . . . 4.06 112.272 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 64' ' ' ALA . 35.9 m-20 -78.56 0.5 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.15 0.5 . . . . 2.86 110.339 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 7.8 mtt180 60.53 43.5 12.86 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 114.843 -1.071 . . . . 3.76 109.453 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -87.0 -4.28 59.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.713 -1.13 . . . . 2.6 111.119 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' N ' ' HA3' ' A' ' 63' ' ' GLY . 12.3 tppt? -125.23 80.08 65.31 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.039 -0.528 . . . . 3.47 110.143 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.753 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 8.3 Cg_exo -73.95 166.21 30.22 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.999 2.466 . . . . 0.74 112.68 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.462 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 7.9 t -104.42 17.24 24.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.662 -0.866 . . . . 1.28 108.662 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.03 162.71 11.01 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.845 -1.07 . . . . 0.3 110.801 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.93 -172.93 42.19 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.371 -0.918 . . . . 0.4 112.594 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -166.08 150.94 7.53 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.627 0.251 . . . . 0.27 110.357 179.319 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 17.3 Cg_exo -66.61 138.08 48.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.93 2.42 . . . . 0.27 112.464 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -39.26 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.974 -1.012 . . . . 1.09 111.513 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.28 -17.77 63.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.808 -0.633 . . . . 1.29 111.179 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 12.0 mptt -95.54 -5.53 42.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.193 -0.458 . . . . 2.13 111.691 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.637 HG12 ' CE2' ' A' ' 74' ' ' PHE . 26.4 mt -65.8 129.53 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.97 -0.752 . . . . 1.06 108.97 173.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.474 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 8.9 t -90.58 -40.43 11.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.105 -0.638 . . . . 1.06 111.249 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.9 m -158.94 138.15 11.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.774 0.321 . . . . 1.1 111.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.503 HG11 ' OE1' ' A' ' 118' ' ' GLN . 70.6 t -119.46 107.73 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.422 -0.584 . . . . 2.0 109.422 177.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 167.23 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.665 0.745 . . . . 2.27 111.51 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -111.4 155.55 22.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.186 -0.915 . . . . 1.11 108.738 171.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.489 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.71 -173.82 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.081 0.4 . . . . 0.47 112.081 -177.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.71 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.939 0.399 . . . . 1.34 110.519 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.8 -26.06 12.4 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.71 -0.478 . . . . 1.59 109.71 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.489 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.3 p-10 34.65 39.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.856 1.428 . . . . 1.77 114.856 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 53.4 m -57.24 -58.59 7.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.424 -0.51 . . . . 1.26 110.047 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 4.4 ptpp? -115.91 12.51 15.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 2.03 112.203 169.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.6 128.96 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.552 0.575 . . . . 1.15 112.552 -169.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.3 mp -117.39 152.08 35.71 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.029 -0.532 . . . . 1.07 109.979 174.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.416 ' C ' HD11 ' A' ' 94' ' ' ILE . 2.0 p -136.54 109.64 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.648 0.737 . . . . 1.11 111.349 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -122.91 132.51 71.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 1.07 110.451 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.6 m -121.4 145.02 48.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.98 110.739 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.9 p -119.54 140.85 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 1.06 110.466 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.474 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 20.0 t-20 -132.04 96.27 3.87 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.105 0.479 . . . . 2.46 111.783 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.7 t30 165.1 -55.23 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.605 0 CA-C-N 114.113 -1.403 . . . . 0.81 108.108 171.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.0 Cg_exo -60.64 172.72 2.57 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 121.82 1.68 . . . . 0.47 109.516 156.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.02 115.19 11.98 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.748 -0.464 . . . . 2.5 109.748 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.03 114.8 0.6 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.955 3.103 . . . . 0.81 113.378 -173.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -141.77 145.04 34.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.425 -0.807 . . . . 1.07 109.837 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 96.8 m -117.69 114.87 23.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.084 0.469 . . . . 1.03 110.066 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -95.5 129.12 42.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.838 -0.619 . . . . 0.98 110.736 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.85 105.47 15.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.46 109.329 175.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -83.91 110.49 18.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.943 -0.762 . . . . 0.48 108.943 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.576 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 29.8 m -120.88 134.04 55.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.7 -0.682 . . . . 1.18 110.412 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CE2' HG13 ' A' ' 30' ' ' VAL . 4.1 t80 -141.39 170.23 16.12 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.795 -0.446 . . . . 0.45 109.795 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.4 -48.92 68.55 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.491 1.138 . . . . 2.48 108.317 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 2.4 m -74.55 117.45 62.25 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 112.777 -2.01 . . . . 1.12 111.338 -172.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.86 -38.45 59.07 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.627 2.218 . . . . 1.09 111.925 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.6 -27.02 63.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.675 -0.774 . . . . 0.63 112.903 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 8.4 tp10 -63.41 -51.16 66.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 1.14 110.851 -174.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -71.2 -37.66 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.512 -0.767 . . . . 3.42 110.612 -175.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.501 ' HG3' ' NH2' ' A' ' 114' ' ' ARG . 38.9 mt-10 -64.7 -42.78 95.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.68 111.25 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -60.57 -33.73 73.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 1.44 110.055 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 -46.38 62.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.3 110.12 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.503 ' OE1' HG11 ' A' ' 82' ' ' VAL . 6.4 tp-100 -51.98 -48.78 64.22 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.214 -0.903 . . . . 0.74 112.265 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.62 -40.59 61.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.713 0.292 . . . . 0.47 111.441 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.24 -40.05 89.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.406 0.521 . . . . 0.32 112.406 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.56 -38.57 81.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.79 0.328 . . . . 1.06 110.395 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.34 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.44 110.255 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 m -62.09 -35.67 79.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 1.7 110.56 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.9 tm? -71.05 -45.9 62.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.05 110.049 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.484 ' O ' ' HB2' ' A' ' 129' ' ' SER . 44.9 mtp -58.59 -51.99 67.54 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.98 111.26 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 130' ' ' MET . 33.8 mmtp -72.9 -17.94 61.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.931 -0.577 . . . . 1.93 111.255 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -71.52 -59.46 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.026 -0.533 . . . . 0.56 111.449 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -95.88 -25.83 15.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 2.18 111.599 -172.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 125' ' ' MET . 66.5 m -103.14 31.99 3.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 1.19 110.157 176.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.405 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -55.75 143.52 30.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.344 -0.844 . . . . 4.34 111.509 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.604 -0.712 . . . . 4.8 110.139 -178.619 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 14.8 t . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.999 0.428 . . . . 2.14 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.726 . . . . 1.51 111.187 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -75.13 -44.83 44.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.045 0.45 . . . . 1.91 109.971 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 1.7 m-20 -65.92 -46.1 79.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 2.69 111.357 -177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 HD13 ' HD2' ' A' ' 18' ' ' LYS . 5.7 tp -61.33 -36.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.405 0.622 . . . . 1.25 110.13 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttt180 -65.8 -47.29 75.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 2.45 110.199 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.5 mtp -60.01 -39.38 85.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.312 . . . . 2.36 111.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.703 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.4 ptpp? -74.44 -33.17 62.87 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.073 -0.651 . . . . 2.15 110.898 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.696 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.8 tmtp? -74.5 -38.79 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.934 -0.479 . . . . 1.66 110.754 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.9 m -67.06 -31.75 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.686 -0.234 . . . . 1.04 111.077 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 15.8 ptp -70.19 -30.62 67.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.565 -0.454 . . . . 3.23 109.959 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.703 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 38.4 mt-30 -62.9 -50.44 70.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.035 -0.728 . . . . 1.05 109.035 172.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.696 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 41.1 m-85 -63.0 -35.46 80.28 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.401 -0.818 . . . . 1.0 110.471 177.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 42.8 ttt180 -58.4 -40.21 81.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.691 . . . . 0.71 110.58 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 21' ' ' MET . 85.1 mtt180 -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.209 0.528 . . . . 3.38 110.592 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB3' ' HG3' ' A' ' 120' ' ' GLN . . . -78.67 -13.02 60.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.83 111.194 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -20.93 15.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.792 -0.64 . . . . 1.07 110.758 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.609 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.8 m -76.86 105.28 7.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.133 0.492 . . . . 1.04 109.994 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -149.18 165.71 31.01 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.377 -0.828 . . . . 1.44 109.479 -175.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.36 125.77 56.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 107.993 -1.114 . . . . 1.59 107.993 169.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.13 149.57 15.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.205 -0.452 . . . . 1.08 110.409 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 10.0 tmtt? -101.9 121.09 41.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.985 0.421 . . . . 1.38 110.394 -178.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.8 mt -85.82 143.57 28.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.89 -0.595 . . . . 1.06 110.651 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 25.8 mtmt -146.04 106.03 4.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 1.44 109.853 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.509 HG21 ' HB3' ' A' ' 37' ' ' LEU . 4.7 t -169.36 -170.87 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.209 -0.293 . . . . 0.95 110.209 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -60.38 -18.92 53.59 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.264 0.554 . . . . 3.78 110.413 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -63.2 -66.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 1.5 108.876 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.513 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 2.8 p90 -178.46 -175.38 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.487 -0.778 . . . . 1.26 109.205 176.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 10.1 p -129.21 99.32 5.19 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.205 -0.665 . . . . 0.69 109.205 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -146.84 156.15 42.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.178 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 20.2 m -83.26 117.03 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.235 -0.654 . . . . 1.06 109.235 174.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -121.56 153.43 25.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.818 0.342 . . . . 1.05 110.351 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 26.0 ttpp -98.75 116.54 31.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.631 -0.878 . . . . 2.07 108.631 171.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.33 157.99 3.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.404 -0.362 . . . . 1.17 110.207 -175.139 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -178.97 -169.39 0.15 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.413 -0.812 . . . . 0.99 108.939 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 p -136.78 162.88 31.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.881 -0.414 . . . . 0.68 109.881 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 t -65.09 170.74 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.439 -0.346 . . . . 1.18 110.712 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.92 -47.96 81.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.929 0.344 . . . . 2.59 111.929 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.73 6.81 26.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.71 110.405 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.04 6.46 68.26 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.894 -0.593 . . . . 0.43 113.584 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -70.06 -24.79 63.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.683 0.623 . . . . 1.99 112.683 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 75' ' ' PRO . 14.1 mt-10 -134.83 150.19 50.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.148 0.425 . . . . 1.49 112.148 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.8 137.39 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.972 -1.122 . . . . 1.06 107.972 170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -137.1 158.66 43.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.04 -0.264 . . . . 2.12 110.717 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.59 151.65 36.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.571 0.7 . . . . 0.35 111.99 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' A' ' 60' ' ' SER . 17.0 m-85 -113.58 116.57 29.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.848 -1.069 . . . . 0.71 109.145 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -80.88 120.86 25.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.71 0.291 . . . . 1.77 111.314 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.34 -102.73 1.75 Allowed Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.454 -0.658 . . . . 1.35 111.454 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.22 147.99 22.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.641 -0.503 . . . . 5.35 109.641 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 56' ' ' PHE . 50.6 m -76.11 101.46 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.259 -0.428 . . . . 3.96 110.83 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.6 m -61.67 100.85 0.16 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.472 0.653 . . . . 3.38 109.752 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 67' ' ' ARG . . . -85.47 87.77 7.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.469 0.652 . . . . 2.03 111.556 -171.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 69' ' ' LYS . . . -62.44 128.71 41.72 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 114.928 -1.033 . . . . 1.99 113.168 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 56.86 28.31 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.195 0.598 . . . . 2.25 112.054 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 73.06 -38.08 0.41 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.195 0.598 . . . . 4.06 112.124 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.92 1.05 21.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.586 0.708 . . . . 2.86 110.595 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 62' ' ' ALA . 17.9 mtm180 69.73 65.21 0.24 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.306 -1.315 . . . . 3.76 112.55 170.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 51.89 1.58 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.428 -0.351 . . . . 2.6 110.921 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 40.8 ttmt -140.6 76.52 24.36 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 3.47 110.5 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.36 153.86 73.26 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.982 2.455 . . . . 0.74 111.813 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -92.74 0.06 57.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.966 -0.561 . . . . 1.28 110.28 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.92 172.45 42.39 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.963 -0.637 . . . . 0.3 111.711 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 -177.27 35.42 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.831 -0.7 . . . . 0.4 112.322 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.664 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -162.43 158.66 20.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 110.307 -0.257 . . . . 0.27 110.307 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 52' ' ' GLU . 14.4 Cg_exo -69.53 135.73 31.76 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.449 . . . . 0.27 112.612 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' SD ' ' A' ' 128' ' ' MET . 78.6 t -64.17 -35.63 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.118 -0.947 . . . . 1.09 111.235 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.68 -13.5 62.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.612 -0.722 . . . . 1.29 110.96 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -103.55 -6.56 21.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.833 -0.621 . . . . 2.13 111.969 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.664 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.5 mt -64.32 114.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.545 -0.539 . . . . 1.06 109.545 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.51 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 10.8 t -81.56 -36.1 29.46 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.826 -0.349 . . . . 1.06 111.228 -175.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.429 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 68.5 m -153.36 131.6 11.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 1.1 111.889 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -114.94 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.215 -1.032 . . . . 2.0 108.215 170.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -134.05 166.67 22.2 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.369 -0.832 . . . . 2.27 110.24 -170.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 118' ' ' GLN . 77.9 p -115.19 154.45 28.98 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.212 -0.662 . . . . 1.11 109.212 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.575 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.78 179.73 0.16 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.331 0.493 . . . . 0.47 112.331 -179.242 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.6 86.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.818 0.342 . . . . 1.34 110.841 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.13 -26.99 13.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.935 -0.394 . . . . 1.59 109.935 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.575 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.41 41.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.215 1.561 . . . . 1.77 115.215 173.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -53.44 -66.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.46 -0.496 . . . . 1.26 109.932 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 5.3 ptpp? -113.71 12.02 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.539 . . . . 2.03 112.245 172.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.489 HG13 ' NE2' ' A' ' 85' ' ' GLN . 4.2 t -108.88 111.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.488 0.551 . . . . 1.15 112.488 -169.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.626 ' HG ' ' OE1' ' A' ' 118' ' ' GLN . 7.8 mp -98.94 149.94 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 1.07 109.999 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.32 110.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.764 0.792 . . . . 1.11 111.382 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.02 131.37 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 1.07 110.326 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -123.13 145.57 48.48 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.097 -0.334 . . . . 0.98 110.097 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 p -118.65 145.32 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.769 0.318 . . . . 1.06 111.288 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.51 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 24.8 t-20 -122.79 142.27 50.92 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.152 -0.476 . . . . 2.46 110.239 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.578 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.7 t30 100.59 -61.28 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 125.492 1.517 . . . . 0.81 111.294 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 35.6 Cg_exo -61.17 172.64 3.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.635 1.557 . . . . 0.47 110.67 164.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.46 110.16 2.66 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 2.5 109.708 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.63 115.16 1.11 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.931 3.087 . . . . 0.81 113.654 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 m -140.55 139.05 34.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.441 -0.799 . . . . 1.07 109.718 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.3 m -111.0 120.03 41.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 1.03 110.047 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -103.17 125.58 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.98 110.582 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.4 m-80 -105.07 106.85 17.53 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.283 0.563 . . . . 0.46 109.948 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 44' ' ' VAL . 63.3 m-85 -84.89 113.71 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.856 -1.065 . . . . 0.48 109.003 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.502 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 11.8 m -120.73 135.49 55.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.329 -0.396 . . . . 1.18 110.969 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.408 ' HB2' ' NH2' ' A' ' 114' ' ' ARG . 1.8 t80 -141.64 159.14 42.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.714 -0.476 . . . . 0.45 109.714 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.87 -36.1 81.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.064 0.459 . . . . 2.48 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 43.9 t -76.05 118.45 71.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 1.12 111.022 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.74 -26.67 38.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.718 2.278 . . . . 1.09 112.046 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.23 -31.83 53.86 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.666 -0.778 . . . . 0.63 111.353 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 7.1 tp10 -60.99 -41.58 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 1.14 110.012 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.15 -50.14 71.97 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.064 -0.971 . . . . 3.42 109.773 178.303 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 45.6 mt-10 -66.06 -46.09 79.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.295 -1.32 . . . . 1.68 111.487 -175.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.69 -41.78 82.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.439 0.462 . . . . 1.44 110.86 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -44.62 61.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.593 -0.276 . . . . 0.3 111.087 -176.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.626 ' OE1' ' HG ' ' A' ' 92' ' ' LEU . 7.8 tp60 -55.23 -48.83 73.35 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.846 -0.616 . . . . 0.74 112.028 -174.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.7 pt-20 -75.0 -38.77 61.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.986 0.422 . . . . 0.47 111.836 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 7.7 mm100 -65.97 -41.92 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.04 -0.527 . . . . 0.32 112.259 -173.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.46 -37.42 78.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.344 -0.389 . . . . 1.06 110.576 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.86 -37.5 81.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 1.44 110.486 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 t -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.736 -0.665 . . . . 1.7 110.081 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.499 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -66.96 -45.38 77.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 1.05 109.778 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.411 ' HG2' HD12 ' A' ' 79' ' ' ILE . 50.7 mtp -57.16 -51.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.98 111.13 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 130' ' ' MET . 46.0 mmtm -72.3 -18.07 61.82 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.06 -0.518 . . . . 1.93 111.435 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.15 -57.57 3.93 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 120.323 -0.551 . . . . 0.56 111.089 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 129' ' ' SER . 1.7 ptm -87.45 -36.59 17.61 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.358 0.503 . . . . 2.18 112.358 -172.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 128' ' ' MET . 37.9 t -88.96 -14.17 37.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.327 . . . . 1.19 111.884 -170.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.461 ' HB2' ' O ' ' A' ' 126' ' ' LYS . 23.3 mmm -63.23 127.04 29.46 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 4.34 111.1 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 4.8 109.944 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 110.648 -0.131 . . . . 1.88 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' ' HG2' ' A' ' 21' ' ' MET . 66.6 mtt -61.43 -34.69 75.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.634 -0.257 . . . . 1.78 111.176 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -75.7 -35.99 60.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.281 -0.568 . . . . 1.61 110.505 175.232 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -72.62 -39.15 67.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.99 110.724 -174.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 31.2 m -64.3 -31.65 54.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.21 110.248 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 17' ' ' MET . 25.1 mmt -65.59 -34.39 78.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.107 0.48 . . . . 2.72 110.306 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.684 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 43.6 mt-30 -65.93 -46.21 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.05 109.327 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 51.9 m-85 -67.35 -31.82 72.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.705 . . . . 0.38 110.508 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 28.3 ttt180 -60.64 -41.18 94.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.57 110.835 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -66.93 -35.57 80.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.404 . . . . 2.87 110.616 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.35 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.888 -0.596 . . . . 0.28 111.084 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.66 -19.95 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.044 -0.525 . . . . 0.21 110.396 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 85.4 m -76.37 107.23 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.146 -0.687 . . . . 0.2 109.146 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 172.51 16.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.74 126.62 68.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.103 -0.702 . . . . 1.03 109.103 171.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.01 149.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.26 110.377 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.24 120.65 40.83 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.083 0.468 . . . . 0.67 110.194 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.0 mt -86.78 146.08 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.21 110.836 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -145.96 106.07 4.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.535 -0.543 . . . . 0.84 109.535 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.9 t -169.87 -168.26 0.74 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 121.072 -0.251 . . . . 0.34 110.479 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -66.34 -16.45 64.06 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.32 0.581 . . . . 3.02 110.239 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 26.0 tp -65.03 -61.66 2.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.041 173.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.545 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.0 p90 177.72 -178.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.214 -0.903 . . . . 0.82 109.038 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.45 100.15 5.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.372 -0.603 . . . . 0.34 109.372 171.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -151.91 157.43 41.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.618 -0.512 . . . . 2.08 109.618 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 44.6 m -83.05 115.8 22.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.599 -0.519 . . . . 0.32 109.599 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.63 159.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.989 -0.55 . . . . 0.23 110.554 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 39.8 ttpt -102.86 122.71 45.09 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.93 -0.767 . . . . 1.61 108.93 171.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.39 159.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 110.136 -0.32 . . . . 0.35 110.136 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -175.14 -172.01 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.796 -0.816 . . . . 0.21 108.796 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -138.78 161.16 37.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.818 -0.438 . . . . 0.19 109.818 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.548 ' OG ' ' HB2' ' A' ' 52' ' ' GLU . 55.7 m -66.4 -179.2 0.77 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.72 0.267 . . . . 1.15 111.72 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.35 -50.4 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.686 0.279 . . . . 2.1 111.019 -170.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.77 13.09 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 0.71 110.778 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.97 46.22 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 111.73 -0.548 . . . . 0.43 111.73 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 12.9 pt-20 -72.34 -16.18 61.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.523 0.564 . . . . 1.99 112.523 -172.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.548 ' HB2' ' OG ' ' A' ' 47' ' ' SER . 39.8 mt-10 -143.17 153.61 43.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.73 -0.214 . . . . 1.49 111.389 -174.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 59.9 t -106.06 129.25 59.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.34 108.514 170.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HA3' ' A' ' 73' ' ' GLY . 9.3 mm-40 -127.58 156.43 42.27 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.147 -0.316 . . . . 2.12 110.147 -173.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 20.9 p90 -144.26 155.5 43.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.381 0.61 . . . . 0.29 111.66 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.0 m-85 -120.5 119.58 33.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.964 -1.017 . . . . 0.53 109.397 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 71' ' ' SER . 6.4 mtmp? . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.729 0.299 . . . . 1.2 110.675 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 Cg_exo . . . . . 0 N--CA 1.459 -0.523 0 CA-C-O 121.258 0.441 . . . . 0.59 112.419 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 56' ' ' PHE . 3.2 m -78.87 -7.71 58.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.496 -0.774 . . . . 1.02 110.208 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.53 168.27 33.67 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.421 -1.072 . . . . 0.26 110.421 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.488 ' HA3' ' OE1' ' A' ' 54' ' ' GLN . . . 166.69 -175.94 41.9 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.164 -1.017 . . . . 0.4 112.743 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -168.3 156.13 7.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.099 -0.334 . . . . 0.21 110.099 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.7 Cg_exo -68.57 139.99 46.18 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.582 2.188 . . . . 0.25 112.613 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 125' ' ' MET . 38.6 t -67.38 -36.59 76.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.055 -0.975 . . . . 0.3 111.376 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.44 -22.7 64.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.282 0.563 . . . . 1.29 110.411 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HD2' ' N ' ' A' ' 78' ' ' LYS . 1.3 mptp? -91.82 -6.98 50.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 1.54 111.883 -173.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.681 HG12 ' CE2' ' A' ' 74' ' ' PHE . 14.3 mt -61.72 113.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.346 -0.612 . . . . 0.26 109.346 173.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 97' ' ' ASN . 14.1 t -79.0 -29.6 43.8 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.755 -0.378 . . . . 0.28 111.039 -174.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 137.73 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.88 111.293 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.439 HG22 ' OE1' ' A' ' 118' ' ' GLN . 7.3 p -123.3 107.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.583 -0.895 . . . . 1.36 108.583 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.708 ' HG3' HG13 ' A' ' 93' ' ' VAL . 8.6 pttt -138.27 167.75 21.19 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.737 0.779 . . . . 1.7 111.863 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -116.22 154.19 30.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.368 -0.833 . . . . 0.72 108.773 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.519 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.3 mp0 -60.85 176.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.535 0.207 . . . . 0.47 111.467 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.8 89.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.72 110.867 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -105.7 -26.29 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.234 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.519 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 6.8 p30 33.28 40.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.957 1.466 . . . . 1.14 114.957 172.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.5 m -52.97 -62.52 1.6 Allowed 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 120.545 -0.462 . . . . 0.68 110.594 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 108' ' ' PHE . 19.8 ptmt -115.22 12.39 16.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.456 0.539 . . . . 1.47 112.456 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.7 135.81 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.871 0.693 . . . . 0.39 112.871 -171.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.2 mp -118.31 153.03 34.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.383 0.673 . . . . 0.22 109.794 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.708 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -135.08 117.65 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 121.435 0.636 . . . . 0.24 111.313 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -130.47 130.01 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.18 110.123 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -119.5 145.13 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.06 -0.348 . . . . 0.2 110.06 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.1 p -122.98 147.12 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.146 0.425 . . . . 0.14 112.146 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.506 ' O ' ' HD2' ' A' ' 99' ' ' PRO . 1.4 p-10 -116.18 153.84 31.1 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.523 -0.547 . . . . 1.87 109.523 172.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.576 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 24.0 t-20 95.21 -64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.193 1.397 . . . . 0.75 111.211 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 48.7 Cg_exo -60.13 170.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 CA-C-N 121.227 1.474 . . . . 0.4 110.008 159.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.51 113.66 8.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.306 -0.627 . . . . 1.87 109.306 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -46.76 111.67 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.271 2.647 . . . . 0.57 112.531 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -133.72 145.31 49.75 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.128 -0.942 . . . . 0.33 109.128 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 87.7 m -114.49 109.44 18.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.085 0.469 . . . . 0.28 109.939 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -90.69 125.47 35.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.747 -0.661 . . . . 0.3 110.795 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.69 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.3 m120 -102.27 106.06 16.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 94' ' ' ILE . 69.3 m-85 -84.41 110.97 19.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.397 -0.594 . . . . 0.34 109.397 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.4 m -120.84 134.29 55.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 0.39 110.347 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.484 ' O ' ' HE3' ' A' ' 90' ' ' LYS . 9.7 t80 -140.71 169.01 18.45 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.645 -0.422 . . . . 0.39 110.162 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.78 -44.57 85.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.158 0.504 . . . . 1.94 109.741 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 41.2 t -69.18 121.87 83.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.262 -0.881 . . . . 1.03 111.108 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.496 ' C ' HH21 ' A' ' 114' ' ' ARG . 17.0 Cg_exo -68.81 3.72 2.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.928 2.419 . . . . 1.09 112.251 174.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.71 -38.88 0.74 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.501 -0.857 . . . . 0.63 112.827 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 8.8 tp10 -50.68 -45.78 58.37 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.268 0.556 . . . . 1.14 112.363 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.47 -42.39 74.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 2.83 110.364 -174.05 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.41 -32.42 71.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.416 -0.357 . . . . 1.59 111.455 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.9 m -58.48 -42.17 86.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.482 -0.562 . . . . 1.15 109.482 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -66.38 -43.67 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.628 -0.715 . . . . 0.26 109.691 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 6.4 tp-100 -53.35 -50.21 65.51 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.259 -0.882 . . . . 0.74 111.708 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.15 -32.87 61.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.913 -0.315 . . . . 0.47 111.606 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.525 -0.307 . . . . 0.32 111.649 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 118' ' ' GLN . 9.7 tp -63.42 -36.7 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.22 110.186 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 76.0 mt-30 -60.4 -47.47 85.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.191 0.519 . . . . 1.0 109.851 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.7 m -60.49 -41.44 94.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.268 -0.878 . . . . 1.03 110.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -67.13 -45.78 76.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 0.18 110.088 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.491 ' HG2' HG13 ' A' ' 76' ' ' VAL . 50.1 mtp -58.4 -51.79 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.26 111.238 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.79 -18.01 61.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.22 -0.446 . . . . 1.34 111.114 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.58 -51.15 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.286 -0.415 . . . . 0.47 111.063 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 14.4 ptm . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 1.63 111.511 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 20' ' ' VAL . 59.0 ttt180 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.986 -0.375 . . . . 1.88 109.986 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.5 -39.6 76.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 1.78 111.599 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.0 ptpp? -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.156 -0.617 . . . . 1.61 110.905 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -72.89 -39.92 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.99 111.145 -177.498 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 16' ' ' ARG . 31.6 m -66.74 -31.7 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.442 -0.344 . . . . 0.21 110.202 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.5 mmm -67.51 -37.75 83.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.821 0.343 . . . . 2.72 110.178 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 45.7 mt-30 -58.6 -45.26 89.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.119 172.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 124' ' ' LEU . 43.3 m-85 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.38 111.199 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 36.0 ttt180 -61.91 -40.81 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.57 110.77 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -60.4 -37.62 81.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 2.87 110.28 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.47 -13.64 57.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.433 -0.803 . . . . 0.28 111.488 -176.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.36 -17.01 17.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.097 -0.501 . . . . 0.21 110.701 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.599 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 86.7 m -80.89 106.15 12.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.175 0.512 . . . . 0.2 110.382 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.599 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.3 mptp? -148.89 169.74 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.79 110.24 -171.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.58 126.91 62.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.177 -1.046 . . . . 1.03 108.177 164.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.44 155.65 7.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.02 -0.363 . . . . 0.26 110.02 -174.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -106.2 120.66 42.42 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.887 0.375 . . . . 0.67 110.247 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.2 mt -88.89 138.25 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.21 111.095 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -140.13 106.55 5.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.84 109.728 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 37' ' ' LEU . 5.2 t -168.98 -168.15 0.82 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.835 -0.346 . . . . 0.34 111.073 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -57.55 -24.76 57.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.25 0.548 . . . . 3.02 110.527 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB3' HG23 ' A' ' 35' ' ' THR . 61.4 tp -64.17 -59.07 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.276 -0.875 . . . . 1.0 109.829 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 175.15 -171.04 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.312 -0.625 . . . . 0.82 109.312 179.07 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 8.5 p -141.06 99.03 3.5 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.167 -0.309 . . . . 0.34 110.167 173.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.1 mt-10 -156.73 167.78 29.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.813 -0.63 . . . . 2.08 109.316 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 10.3 m -82.74 127.19 33.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.837 0.351 . . . . 0.32 110.609 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.5 m -125.76 158.83 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.326 -0.397 . . . . 0.23 110.413 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 27.9 ttpp -101.56 120.29 40.09 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.264 -0.643 . . . . 1.61 109.264 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.41 152.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 0.35 110.103 -173.748 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.1 t -177.01 -172.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.215 -0.661 . . . . 0.21 109.215 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -137.56 168.04 20.46 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.134 -0.321 . . . . 0.19 110.134 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 p -71.13 178.43 3.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.682 0.253 . . . . 1.15 111.682 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -69.34 -34.03 74.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.515 0.197 . . . . 2.1 111.478 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.86 -0.12 57.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.447 -0.342 . . . . 0.71 110.48 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 70.21 9.56 64.12 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 115.868 -0.605 . . . . 0.43 112.337 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.15 -29.82 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 1.99 110.998 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -121.36 145.74 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 1.49 111.47 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 47.6 t -104.2 120.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.143 -1.058 . . . . 0.34 108.143 168.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.496 ' HG3' HG23 ' A' ' 45' ' ' THR . 10.3 pt20 -126.31 160.74 29.52 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.943 0.401 . . . . 2.12 110.896 -174.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 16.3 p90 -146.85 159.83 43.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.377 0.608 . . . . 0.29 111.238 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.6 m-85 -119.27 102.6 8.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.098 -0.956 . . . . 0.53 109.015 176.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 mtmm . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.004 -0.543 . . . . 1.2 110.537 -174.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.486 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 Cg_exo . . . . . 0 N--CA 1.458 -0.591 0 CA-C-O 120.996 0.332 . . . . 0.59 111.503 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.411 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 23.0 t -92.59 4.79 52.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.524 0.678 . . . . 1.02 109.724 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.82 165.48 19.97 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.286 -1.126 . . . . 0.26 110.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 53' ' ' VAL . . . 170.46 155.6 10.5 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.917 -1.135 . . . . 0.4 113.051 -178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -145.73 153.86 51.14 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.741 -0.466 . . . . 0.21 109.741 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 6.5 Cg_exo -71.98 139.44 32.98 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.452 2.102 . . . . 0.25 112.287 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 49.9 t -65.16 -36.91 78.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.64 -1.164 . . . . 0.3 111.87 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.28 -17.25 60.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.182 0.515 . . . . 1.29 110.698 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.3 mptp? -91.52 -7.62 49.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.194 -0.457 . . . . 1.54 111.496 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 17.0 mt -64.95 124.58 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.461 -0.57 . . . . 0.26 109.461 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.46 ' H ' ' HA ' ' A' ' 96' ' ' VAL . 11.4 t -84.39 -39.03 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.603 -0.439 . . . . 0.28 111.023 -174.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -160.24 136.3 8.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.963 0.411 . . . . 0.88 111.495 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.663 HG12 HE22 ' A' ' 118' ' ' GLN . 52.3 t -118.96 106.5 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.842 -0.617 . . . . 1.36 109.426 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -124.61 167.54 14.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.496 0.665 . . . . 1.7 111.698 -175.539 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.1 p -108.29 154.16 22.2 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.741 -0.837 . . . . 0.72 108.741 168.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.504 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.1 mp0 -61.84 172.65 1.25 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.282 0.087 . . . . 0.47 111.215 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.83 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 0.72 111.081 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.49 -25.06 10.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 1.59 110.247 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 8.4 p30 33.03 44.53 0.05 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.714 1.376 . . . . 1.14 114.714 173.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.3 m -51.17 -58.0 7.29 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.323 -0.551 . . . . 0.68 110.194 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.519 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 5.0 ptpp? -116.91 4.62 12.88 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.783 1.031 . . . . 1.47 113.783 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.7 t -110.25 135.47 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.701 1.0 . . . . 0.39 113.701 -168.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.8 mp -112.61 152.44 28.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.649 -0.705 . . . . 0.22 110.009 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.7 p -132.18 109.84 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.741 0.781 . . . . 0.24 111.614 178.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.467 HG13 HG13 ' A' ' 82' ' ' VAL . 2.1 mp -121.04 132.49 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.18 109.822 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -124.82 144.21 50.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 0.2 110.589 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.46 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.3 p -120.14 144.96 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.14 110.86 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.402 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 49.8 t-20 -131.77 97.05 4.09 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.827 0.346 . . . . 1.87 111.112 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.643 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 28.8 t-20 165.34 -56.42 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.646 0 O-C-N 124.736 1.273 . . . . 0.75 108.475 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.9 173.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.221 1.948 . . . . 0.4 110.575 157.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.5 pt20 -59.24 126.57 82.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.373 -0.603 . . . . 1.87 109.373 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 52.9 Cg_exo -51.65 111.78 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.242 2.628 . . . . 0.57 112.866 -171.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -140.36 145.93 37.77 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.457 -0.792 . . . . 0.33 109.922 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.2 m -121.37 108.5 13.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.201 -0.666 . . . . 0.28 109.201 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.35 122.12 32.27 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.683 -0.69 . . . . 0.3 110.535 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 15.0 m120 -104.98 103.79 13.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.563 -0.744 . . . . 0.46 109.721 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.771 -1.104 . . . . 0.34 109.616 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.462 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 23.3 m -119.97 137.21 54.2 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.945 -0.571 . . . . 0.39 110.426 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -140.19 167.64 21.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.054 -0.721 . . . . 0.39 109.054 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 28.8 tttt -65.89 -45.88 80.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.044 0.449 . . . . 1.94 110.22 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.571 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 37.6 t -71.91 112.28 13.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 1.03 111.683 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 109' ' ' LYS . 27.8 Cg_exo -62.49 4.84 0.3 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.596 2.864 . . . . 1.09 112.861 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.63 -39.65 1.57 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.702 -0.761 . . . . 0.63 112.073 172.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.26 -52.04 64.7 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.544 0.572 . . . . 1.14 112.544 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.583 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.02 -45.33 70.77 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.821 -0.352 . . . . 2.83 111.221 -173.084 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.32 -33.56 74.91 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.753 0.279 . . . . 1.59 111.753 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -39.97 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.941 -0.392 . . . . 1.15 109.941 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.57 -41.5 92.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.401 -0.592 . . . . 0.26 109.401 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.663 HE22 HG12 ' A' ' 82' ' ' VAL . 49.1 tp60 -53.34 -52.45 59.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.855 -1.066 . . . . 0.74 112.052 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.53 -31.56 62.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.021 0.439 . . . . 0.47 110.975 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.521 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 47.2 mm-40 -69.46 -45.56 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 0.32 111.788 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.7 -44.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 0.22 110.752 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 7.7 pt20 -70.04 -27.98 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.902 -176.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.8 m -68.33 -42.04 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 1.03 110.212 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -63.66 -43.15 97.58 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.554 -0.536 . . . . 0.18 109.554 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 56.4 mtp -55.67 -52.91 62.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.26 110.972 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -65.5 -39.24 91.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.651 -0.704 . . . . 1.34 111.014 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.86 -39.45 62.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.988 0.366 . . . . 0.47 111.988 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.5 ptp . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 112.043 0.386 . . . . 1.63 112.043 -177.483 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.6 ttm180 . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 111.173 0.064 . . . . 1.88 111.173 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.6 mtm -58.47 -40.02 81.58 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.961 -0.296 . . . . 1.78 111.406 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 21' ' ' MET . 18.6 ptpt -77.33 -34.92 55.21 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.489 -0.484 . . . . 1.61 110.796 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.659 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 5.9 tmtp? -74.47 -32.31 62.54 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.592 0.357 . . . . 0.99 111.368 -172.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.8 m -63.87 -29.62 47.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.401 -0.592 . . . . 0.21 109.401 173.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.708 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 65.6 mtt -57.02 -41.59 78.86 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.415 0.447 . . . . 2.72 110.709 174.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.659 ' OE1' ' HA ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -56.09 -50.68 70.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.256 0.551 . . . . 1.05 110.916 171.559 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' HD23 ' A' ' 124' ' ' LEU . 57.5 m-85 -68.8 -28.82 67.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.221 -0.9 . . . . 0.38 111.478 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 31.7 ttt180 -65.84 -36.99 85.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 0.57 110.77 -175.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.17 -31.37 69.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 2.87 110.234 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.71 -17.86 46.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.766 -0.652 . . . . 0.28 110.924 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.73 -14.55 19.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 0.21 111.109 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.623 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.4 m -85.23 104.7 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 0.2 109.967 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.3 mptm? -147.59 167.02 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.504 -0.771 . . . . 0.79 109.73 -175.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 127.87 55.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.542 -0.91 . . . . 1.03 108.542 168.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.84 149.51 14.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.895 0.378 . . . . 0.26 110.211 -174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -101.5 122.05 43.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.946 0.403 . . . . 0.67 110.421 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 20.8 mt -87.82 140.9 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.21 111.056 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 35.0 mtmt -143.43 106.21 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.84 109.919 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.6 t -169.19 -165.84 0.57 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.283 -0.266 . . . . 0.34 110.283 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.74 -19.56 65.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.483 0.659 . . . . 3.02 109.888 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 34.1 tp -63.96 -65.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.329 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.0 p90 -179.24 -174.88 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.589 -0.732 . . . . 0.82 109.774 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.7 p -129.46 99.89 5.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.269 -0.641 . . . . 0.34 109.269 170.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.2 159.08 43.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.59 . . . . 2.08 109.654 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 25.4 m -87.5 123.38 32.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.908 0.385 . . . . 0.32 110.003 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.86 159.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.938 -0.574 . . . . 0.23 110.006 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -103.82 122.37 44.99 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.955 -0.758 . . . . 1.61 108.955 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.53 155.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.738 -0.467 . . . . 0.35 109.738 -174.504 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -174.05 -179.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.273 -0.64 . . . . 0.21 109.273 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 17.3 p -124.36 170.91 10.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.463 -0.569 . . . . 0.19 109.463 173.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -71.86 -178.8 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.017 -0.273 . . . . 1.15 110.979 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.07 -28.51 65.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 2.1 110.347 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.481 ' C ' HG21 ' A' ' 20' ' ' VAL . 15.1 m-20 -94.09 0.17 55.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.71 110.228 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 74.53 0.15 57.46 Favored Glycine 0 C--O 1.222 -0.608 0 C-N-CA 121.052 -0.594 . . . . 0.43 112.67 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.38 -16.83 58.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.677 0.621 . . . . 1.99 112.677 -170.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -125.62 144.73 50.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.538 0.209 . . . . 1.49 110.905 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 76' ' ' VAL . 61.6 t -106.13 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.517 -0.92 . . . . 0.34 108.517 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -121.75 160.92 23.55 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.75 0.31 . . . . 2.12 110.26 -175.236 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p90 -140.52 141.72 35.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.747 0.784 . . . . 0.29 111.845 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -102.15 101.14 11.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.759 -1.11 . . . . 0.53 108.554 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 109.47 -0.567 . . . . 1.2 109.47 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HG2' ' OE1' ' A' ' 54' ' ' GLN . 7.3 Cg_exo . . . . . 0 N--CA 1.454 -0.804 0 N-CA-C 110.074 -0.779 . . . . 0.59 110.074 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -92.35 9.7 32.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.383 0.611 . . . . 1.02 110.141 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.04 167.22 30.2 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.397 -0.82 . . . . 0.26 111.087 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.55 170.36 32.25 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.686 -0.768 . . . . 0.4 112.236 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.712 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -155.9 155.24 29.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.114 -0.328 . . . . 0.21 110.114 177.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.535 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 13.6 Cg_exo -68.29 139.41 45.72 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.796 2.331 . . . . 0.25 112.882 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 50' ' ' GLY . 47.4 t -64.91 -37.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.988 -1.005 . . . . 0.3 111.592 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.75 -20.87 64.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 1.29 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 2.6 mptp? -94.15 -7.15 43.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 1.54 111.92 -174.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.712 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.2 mt -64.91 116.23 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.687 -0.486 . . . . 0.26 109.687 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 97' ' ' ASN . 11.6 t -79.88 -36.15 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.779 -0.368 . . . . 0.28 111.206 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.0 m -157.77 136.04 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.016 0.436 . . . . 0.88 111.502 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.7 t -121.9 107.43 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.669 -0.863 . . . . 1.36 108.669 173.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -130.92 165.57 22.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.669 0.747 . . . . 1.7 110.738 -177.224 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 p -109.01 153.97 22.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.3 -0.864 . . . . 0.72 108.879 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.6 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.4 mp0 -62.13 179.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.799 0.296 . . . . 0.47 111.799 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.22 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.852 0.358 . . . . 0.72 111.351 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.35 -22.01 8.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.059 -0.719 . . . . 1.59 109.059 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.6 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.0 p30 41.17 48.4 3.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.065 -0.971 . . . . 1.14 113.191 172.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -47.41 -67.47 0.27 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.68 110.128 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.631 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 5.1 ptpp? -115.15 6.75 15.19 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.128 0.418 . . . . 1.47 112.128 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.1 t -107.91 124.16 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 113.298 0.851 . . . . 0.39 113.298 -166.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 9.0 mp -111.6 152.11 27.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 0.22 110.107 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.48 ' HB ' HE22 ' A' ' 85' ' ' GLN . 1.9 p -133.2 110.87 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.543 0.687 . . . . 0.24 111.536 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -124.7 131.63 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.654 . . . . 0.18 110.587 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.4 m -124.03 146.19 48.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.635 0.255 . . . . 0.2 110.77 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 p -120.58 146.48 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 111.778 0.288 . . . . 0.14 111.778 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.527 ' HB3' ' HB ' ' A' ' 80' ' ' THR . 1.6 p-10 -117.58 150.26 39.29 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.731 -0.47 . . . . 1.87 109.731 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 25.7 t-20 94.18 -65.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.98 1.312 . . . . 0.75 111.381 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 52.4 Cg_exo -58.73 171.65 1.92 Allowed 'Trans proline' 0 C--N 1.366 1.456 0 CA-C-N 121.337 1.513 . . . . 0.4 110.755 163.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.43 116.9 19.95 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.63 -0.507 . . . . 1.87 109.63 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.74 120.25 5.71 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.508 2.805 . . . . 0.57 113.015 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.7 m -144.68 141.96 29.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.882 -1.054 . . . . 0.33 109.658 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 60.4 m -119.74 108.85 14.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.331 0.586 . . . . 0.28 109.995 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -91.61 126.2 36.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.758 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.643 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m120 -102.0 106.11 16.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.212 -0.662 . . . . 0.46 109.212 175.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 94' ' ' ILE . 58.9 m-85 -84.74 111.53 19.68 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 0.34 109.343 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.525 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 35.8 m -120.31 137.43 54.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.778 -0.646 . . . . 0.39 110.719 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -140.81 174.03 10.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.747 -0.464 . . . . 0.39 109.747 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -65.94 -53.19 42.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.988 0.899 . . . . 1.94 109.075 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 15.9 m -75.27 110.1 9.4 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 113.449 -1.705 . . . . 1.03 111.191 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.2 5.94 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.554 2.836 . . . . 1.09 113.066 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.89 -32.09 3.18 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.834 -0.698 . . . . 0.63 111.646 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 10.4 tp10 -60.58 -51.76 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.28 0.474 . . . . 1.14 112.28 -171.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.635 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -60.01 -40.98 91.1 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.892 0.377 . . . . 2.83 110.711 -177.294 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.592 ' H ' ' NH1' ' A' ' 114' ' ' ARG . 37.2 mt-10 -68.52 -35.05 76.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.467 -0.333 . . . . 1.59 111.808 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -34.42 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.705 -0.48 . . . . 1.15 109.705 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -72.78 -47.63 45.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.26 109.551 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.4 tp-100 -50.98 -51.11 56.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.676 -1.147 . . . . 0.74 112.153 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.59 -34.19 67.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.949 0.404 . . . . 0.47 111.326 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.491 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 45.8 mm-40 -73.72 -40.36 63.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.32 112.183 -174.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.13 -38.17 81.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.22 110.568 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.14 -41.34 99.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 1.0 110.338 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.7 m -61.99 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 1.03 110.621 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -65.43 -46.36 80.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.47 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 46.4 mtp -56.32 -52.51 64.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.26 111.291 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -73.4 -17.58 61.25 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.847 -0.615 . . . . 1.34 111.658 -174.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -71.0 -46.4 62.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.989 0.423 . . . . 0.47 111.002 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.312 -0.404 . . . . 1.63 111.549 -177.119 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.8 ttm180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 110.337 -0.246 . . . . 1.88 110.337 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.42 ' HA ' HG22 ' A' ' 20' ' ' VAL . 55.1 mtt -56.07 -35.7 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.833 0.825 . . . . 1.78 110.028 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.65 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 22.0 tptt -72.64 -38.72 67.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.416 -1.266 . . . . 1.61 111.368 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.695 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.7 tmtp? -76.6 -41.05 47.56 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.071 -0.393 . . . . 0.99 111.216 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 16' ' ' ARG . 21.2 m -66.58 -30.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.817 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptm -67.63 -31.61 71.74 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.459 . . . . 2.72 109.804 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.65 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 8.6 mt-30 -66.05 -49.67 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 1.05 108.978 174.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.695 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 37.4 m-85 -64.2 -36.33 83.72 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.38 111.043 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 38.1 ttt180 -57.31 -44.29 84.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.57 110.082 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.17 -38.14 89.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 2.87 110.756 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' O ' ' HE2' ' A' ' 29' ' ' LYS . . . -77.18 -16.4 59.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.28 111.395 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.17 -18.28 18.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.07 -0.514 . . . . 0.21 110.773 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.9 m -75.95 104.85 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.47 . . . . 0.2 110.066 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.4 mptp? -146.26 165.4 29.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.449 -0.796 . . . . 0.79 109.568 -174.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -103.37 129.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 107.994 -1.113 . . . . 1.03 107.994 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.517 ' CG2' HH22 ' A' ' 114' ' ' ARG . 2.2 t -150.24 148.91 14.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.279 -0.419 . . . . 0.26 110.96 -168.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.81 117.1 33.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.862 -0.422 . . . . 0.67 109.862 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 39' ' ' SER . 19.7 mt -85.99 142.1 29.02 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.92 -0.582 . . . . 0.21 110.676 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.8 mtmt -142.48 105.43 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.84 110.064 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.6 t -169.01 -173.81 1.89 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.29 -0.414 . . . . 0.34 109.938 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -66.63 -9.76 39.05 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.128 0.49 . . . . 3.02 110.938 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HB3' HG23 ' A' ' 35' ' ' THR . 24.6 tp -65.73 -60.79 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 169.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 13.0 p90 178.64 178.19 0.43 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.023 -0.99 . . . . 0.82 109.726 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.9 p -126.57 101.33 6.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.315 -0.624 . . . . 0.34 109.315 170.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -155.18 163.25 40.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.934 -0.575 . . . . 2.08 110.511 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.0 m -87.84 122.11 31.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.945 -0.57 . . . . 0.32 109.816 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.5 174.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.23 109.697 -175.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -120.26 126.17 49.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.899 -0.778 . . . . 1.61 108.899 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.64 158.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 110.359 -0.237 . . . . 0.35 110.359 -172.393 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 54' ' ' GLN . 14.9 t 177.21 -171.43 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.571 -0.9 . . . . 0.21 108.571 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 28.4 p -136.04 167.69 20.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.643 -0.503 . . . . 0.19 109.643 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -71.34 171.69 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.443 -0.206 . . . . 1.15 110.443 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -63.44 -36.7 84.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.41 0.522 . . . . 2.1 112.41 -172.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.45 5.68 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.634 0.254 . . . . 0.71 111.369 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.91 70.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.43 112.595 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.63 -33.61 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.391 . . . . 1.99 110.91 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -120.99 148.29 44.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 1.49 111.395 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 76' ' ' VAL . 48.4 t -101.53 119.97 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.85 -1.167 . . . . 0.34 107.85 166.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 45' ' ' THR . 13.0 pt20 -126.62 156.11 41.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.667 0.27 . . . . 2.12 110.552 -171.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -141.92 149.03 39.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.622 0.725 . . . . 0.29 112.038 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 70' ' ' PRO . 58.7 m-85 -108.41 102.54 11.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.845 -1.07 . . . . 0.53 109.241 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' HE2' ' OG ' ' A' ' 71' ' ' SER . 46.6 mtmt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 1.2 111.126 -175.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' CB ' ' HB2' ' A' ' 54' ' ' GLN . 60.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 CA-C-O 120.906 0.294 . . . . 0.59 112.217 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 57' ' ' LYS . 4.8 t -109.34 23.02 15.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.82 0.819 . . . . 1.02 109.399 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.6 154.36 8.08 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.946 -1.024 . . . . 0.26 110.612 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.86 165.24 29.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.247 -0.978 . . . . 0.4 112.995 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -151.7 153.4 31.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.057 -0.349 . . . . 0.21 110.057 178.581 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.29 136.73 38.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.865 2.377 . . . . 0.25 112.565 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 53' ' ' VAL . 84.3 t -65.03 -38.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.049 -0.978 . . . . 0.3 111.668 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.03 -13.06 62.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.396 0.617 . . . . 1.29 110.665 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -100.08 -5.99 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 1.54 111.72 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 13.8 mt -64.86 125.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.647 -0.501 . . . . 0.26 109.647 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.7 t -87.09 -34.97 18.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.698 -0.401 . . . . 0.28 110.933 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.49 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 73.8 m -160.22 131.09 5.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.887 0.375 . . . . 0.88 111.711 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.511 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.1 t -111.08 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.047 -1.094 . . . . 1.36 108.047 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -132.32 166.82 21.06 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.482 -0.781 . . . . 1.7 110.344 -171.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -114.73 153.99 29.3 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.504 -0.554 . . . . 0.72 109.504 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.578 HE22 ' HB ' ' A' ' 93' ' ' VAL . 1.7 mp0 -61.72 -174.39 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.279 0.474 . . . . 0.47 112.279 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.24 70.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.068 -0.253 . . . . 0.72 110.934 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.03 -25.64 11.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.638 -0.505 . . . . 1.59 109.638 176.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.577 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.9 p-10 32.75 43.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.114 1.524 . . . . 1.14 115.114 170.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.1 m -56.98 -65.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.176 -0.61 . . . . 0.68 109.557 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 16.0 ptpt -113.76 12.5 18.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.316 -0.402 . . . . 1.47 111.211 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.08 105.29 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.39 112.231 -170.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 114' ' ' ARG . 5.0 mp -98.38 151.29 20.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.909 -0.587 . . . . 0.22 110.493 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.591 HG23 ' CG2' ' A' ' 103' ' ' THR . 1.8 p -133.02 109.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.779 0.799 . . . . 0.24 110.802 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.1 mp -120.04 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.572 -0.74 . . . . 0.18 110.201 -177.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 143.52 46.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.848 0.356 . . . . 0.2 110.249 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.8 p -118.67 142.64 32.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.243 -0.435 . . . . 0.14 110.631 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.481 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 19.4 t-20 -131.28 95.78 3.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.178 0.513 . . . . 1.87 111.276 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.628 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.4 t30 168.22 -54.46 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.045 -1.434 . . . . 0.75 107.804 172.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 31.9 Cg_exo -60.79 172.95 2.49 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.837 1.692 . . . . 0.4 109.872 153.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 10.8 pt20 -60.5 130.04 89.76 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.003 -0.74 . . . . 1.87 109.003 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 51.8 Cg_exo -53.8 111.68 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.634 2.223 . . . . 0.57 112.417 -173.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 m -137.37 139.49 40.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.257 -0.883 . . . . 0.33 109.643 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.591 ' CG2' HG23 ' A' ' 93' ' ' VAL . 65.7 m -115.76 109.33 17.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.285 0.564 . . . . 0.28 110.523 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -90.33 122.54 33.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.656 -0.702 . . . . 0.3 110.469 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m120 -102.99 105.27 15.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.621 -0.511 . . . . 0.46 109.621 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -84.58 109.68 18.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.498 -0.556 . . . . 0.34 109.498 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.551 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 8.6 m -121.02 136.01 55.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.831 -0.622 . . . . 0.39 111.099 -175.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 114' ' ' ARG . 8.6 t80 -141.73 172.02 13.26 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 0.39 109.86 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 5.7 tmmm? -66.17 -28.82 69.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.411 0.624 . . . . 1.94 109.59 175.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 34.0 t -96.49 113.12 62.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 1.03 110.067 -174.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 33.0 Cg_exo -61.7 -35.87 77.7 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.559 2.173 . . . . 1.09 111.453 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.31 76.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.63 111.843 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 5.7 tp10 -63.14 -51.36 66.76 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.404 0.621 . . . . 1.14 110.008 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.655 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -70.83 -37.03 73.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.379 -0.828 . . . . 2.83 111.563 -179.328 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 54.1 mt-10 -59.25 -43.99 92.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.731 -0.387 . . . . 1.59 110.73 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.2 m -67.07 -35.2 79.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.958 -0.564 . . . . 1.15 110.791 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.25 -46.23 71.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.26 109.86 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.519 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.2 tp-100 -53.35 -47.09 69.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.908 -1.042 . . . . 0.74 111.913 -178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.41 -37.77 60.27 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.765 0.283 . . . . 0.47 111.765 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.434 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 52.0 mm-40 -63.09 -47.57 82.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.778 0.323 . . . . 0.32 111.863 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.07 -38.4 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 0.22 111.136 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.401 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.6 mt-30 -65.21 -38.33 90.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.668 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 m -65.97 -37.24 85.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 1.03 110.621 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -66.57 -43.1 85.92 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.619 -0.511 . . . . 0.18 109.619 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 82' ' ' VAL . 44.7 mtp -59.78 -50.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.26 111.013 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -69.23 -18.24 63.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.934 -0.575 . . . . 1.34 111.2 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 72.4 t80 -71.66 -52.23 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.025 -0.534 . . . . 0.47 111.531 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 1.63 111.914 -172.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.7 ttt180 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 110.407 -0.219 . . . . 1.88 110.407 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -56.75 -41.79 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.405 -0.361 . . . . 1.78 111.26 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.7 ptpt -74.53 -34.7 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.448 -0.501 . . . . 1.61 110.2 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 5.7 tmtp? -74.27 -38.5 63.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.99 111.392 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.4 m -66.51 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 110.286 -0.264 . . . . 0.21 110.286 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.6 mmm -64.88 -31.92 73.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.761 0.315 . . . . 2.72 110.541 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 11.1 mt-30 -66.62 -46.65 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.34 -0.615 . . . . 1.05 109.34 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CD1' HD23 ' A' ' 124' ' ' LEU . 54.0 m-85 -65.83 -36.55 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.405 -0.816 . . . . 0.38 110.489 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 39.6 ttt180 -57.52 -40.24 78.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.098 -0.956 . . . . 0.57 111.274 -177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -65.75 -35.99 82.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.333 -0.394 . . . . 2.87 111.174 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -79.53 -13.75 59.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.284 0.564 . . . . 0.28 110.744 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.28 -12.66 20.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.342 -0.844 . . . . 0.21 110.994 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.707 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 78.1 m -95.36 103.95 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.2 111.404 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.8 173.99 15.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.294 -0.866 . . . . 0.79 112.991 -176.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -98.07 124.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.064 -0.971 . . . . 1.03 108.715 171.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.43 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.2 t -149.05 148.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.77 -0.456 . . . . 0.26 109.77 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.4 tmtp? -102.6 118.49 36.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.105 0.478 . . . . 0.67 110.571 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 39' ' ' SER . 25.6 mt -85.72 141.96 29.34 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.778 -0.647 . . . . 0.21 110.677 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.5 mtmt -143.69 106.29 4.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.615 -0.721 . . . . 0.84 109.976 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.4 t -168.77 -166.89 0.7 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.786 -0.45 . . . . 0.34 109.786 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -68.47 -13.01 62.01 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.571 0.7 . . . . 3.02 110.102 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 35' ' ' THR . 19.3 tp -64.92 -59.93 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.007 -0.997 . . . . 1.0 108.913 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.2 p90 174.81 -178.49 0.1 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.052 -0.976 . . . . 0.82 109.207 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 24.8 p -130.63 100.49 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.425 -0.583 . . . . 0.34 109.425 171.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 10.3 mm-40 -155.22 159.24 39.92 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.961 -0.563 . . . . 2.08 109.748 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 87.3 m -83.02 123.74 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.994 0.426 . . . . 0.32 109.919 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.66 156.45 35.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.842 -0.617 . . . . 0.23 109.823 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 37.2 ttpt -101.06 123.47 45.29 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.672 -0.492 . . . . 1.61 109.672 173.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.0 158.29 4.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.762 -174.422 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -176.36 -172.02 0.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.698 -0.853 . . . . 0.21 108.698 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -142.83 167.73 21.39 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.975 -0.29 . . . . 0.19 110.564 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.544 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 14.1 t -58.1 158.49 6.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 1.15 111.382 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -65.33 -20.94 66.63 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.66 -0.7 . . . . 2.1 111.02 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -108.23 9.01 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.71 110.538 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.17 23.94 68.41 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.43 112.727 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.77 -26.84 29.31 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.651 -0.323 . . . . 1.99 111.666 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' H ' ' HB3' ' A' ' 47' ' ' SER . 41.9 mt-10 -132.87 156.02 47.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.436 -0.347 . . . . 1.49 111.393 -175.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.8 t -111.43 122.95 66.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.266 -1.013 . . . . 0.34 108.266 168.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 2.6 mm-40 -118.39 161.52 19.82 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.348 -0.242 . . . . 2.12 110.348 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 11.4 p90 -148.34 149.36 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.551 0.691 . . . . 0.29 111.711 172.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 68.8 m-85 -114.77 114.13 25.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.008 -0.996 . . . . 0.53 109.205 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.2 111.46 -171.586 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 9.6 Cg_exo . . . . . 0 N--CA 1.462 -0.379 0 CA-C-O 121.008 0.337 . . . . 0.59 112.059 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -93.98 3.27 55.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.567 0.699 . . . . 1.02 109.24 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.14 160.72 22.86 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 110.163 -1.175 . . . . 0.26 110.163 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.19 168.36 27.22 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.235 -0.983 . . . . 0.4 112.732 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -158.37 154.58 23.92 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.89 -0.411 . . . . 0.21 109.89 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.492 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.1 Cg_exo -68.09 138.66 44.33 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.693 2.262 . . . . 0.25 112.315 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.484 HG22 HG23 ' A' ' 53' ' ' VAL . 70.4 t -64.79 -37.52 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.022 -0.99 . . . . 0.3 111.034 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.84 -22.83 64.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.767 -0.651 . . . . 1.29 110.714 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -87.69 -8.43 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 1.54 111.895 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.631 HG12 ' CE2' ' A' ' 74' ' ' PHE . 27.1 mt -63.39 123.0 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.822 -0.436 . . . . 0.26 109.822 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.46 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 15.2 t -87.45 -33.96 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.62 -0.432 . . . . 0.28 110.904 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m -158.93 135.41 9.28 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.341 . . . . 0.88 111.626 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' NE2' ' A' ' 118' ' ' GLN . 79.0 t -118.67 107.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.178 -1.045 . . . . 1.36 108.178 171.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.745 ' HG3' HG13 ' A' ' 93' ' ' VAL . 13.2 pttt -132.2 168.3 18.28 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.348 -0.842 . . . . 1.7 111.085 -172.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.5 p -122.94 154.3 38.56 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.719 -0.673 . . . . 0.72 109.474 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.9 mp0 -60.29 -176.02 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.961 0.726 . . . . 0.47 112.961 -174.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.96 90.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 0.72 111.077 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.14 -24.57 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 1.59 109.118 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 6.0 p30 37.21 51.69 1.1 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.447 -1.252 . . . . 1.14 113.172 174.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.1 m -52.38 -66.83 0.32 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.594 -0.521 . . . . 0.68 109.594 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 15.4 ptpt -115.01 1.44 13.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.939 -0.573 . . . . 1.47 112.394 173.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.46 123.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.879 0.696 . . . . 0.39 112.879 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.5 mp -106.2 151.83 24.26 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.22 110.022 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.745 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -134.32 111.94 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.654 0.74 . . . . 0.24 110.711 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 93' ' ' VAL . 1.9 mp -123.01 131.8 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.138 -0.483 . . . . 0.18 109.786 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -123.66 142.64 50.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.987 0.422 . . . . 0.2 110.499 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' A' ' 99' ' ' PRO . 2.2 p -118.76 144.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.128 -0.487 . . . . 0.14 110.213 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 44.6 t-20 -131.67 96.65 4.01 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.459 -0.497 . . . . 1.87 111.587 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 163.06 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.149 1.38 . . . . 0.75 108.504 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 49.7 Cg_exo -59.07 171.0 2.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.907 1.738 . . . . 0.4 110.302 159.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.18 116.22 18.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.882 -0.414 . . . . 1.87 109.882 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.28 116.35 0.46 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.187 3.258 . . . . 0.57 114.014 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -145.93 135.28 22.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.437 -0.801 . . . . 0.33 109.584 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 93' ' ' VAL . 86.3 m -112.08 113.3 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.193 0.52 . . . . 0.28 110.103 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -93.57 126.64 38.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.605 -0.725 . . . . 0.3 111.095 -172.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.3 m-20 -100.97 103.48 14.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.277 -0.638 . . . . 0.46 109.277 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.43 ' HD1' HG11 ' A' ' 31' ' ' VAL . 89.0 m-85 -84.94 108.95 17.82 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.744 -0.835 . . . . 0.34 108.744 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.407 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 26.8 m -122.83 139.02 54.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.259 -0.428 . . . . 0.39 110.921 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -139.5 167.73 21.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.211 -0.663 . . . . 0.39 109.211 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.473 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -66.18 -42.37 88.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.944 -0.761 . . . . 1.94 108.944 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.457 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 10.9 t -81.01 112.45 32.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.225 -0.898 . . . . 1.03 110.278 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.522 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 9.9 Cg_endo -55.28 -41.15 81.2 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.496 2.131 . . . . 1.09 111.726 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.1 72.47 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.836 -0.697 . . . . 0.63 112.471 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.2 tp10 -66.84 -53.1 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.392 . . . . 1.14 110.725 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.589 ' NH1' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -74.31 -28.85 61.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.83 111.203 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.589 ' HG2' ' NH1' ' A' ' 114' ' ' ARG . 51.8 mm-40 -54.04 -48.47 70.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.563 0.22 . . . . 1.59 110.911 172.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 42.0 m -57.87 -32.62 67.85 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.825 -0.625 . . . . 1.15 110.945 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.63 -52.72 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.867 0.365 . . . . 0.26 110.604 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.577 ' NE2' HG12 ' A' ' 82' ' ' VAL . 51.9 tp60 -51.82 -49.03 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.35 -0.841 . . . . 0.74 112.12 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.8 pt-20 -74.58 -39.44 62.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.777 0.322 . . . . 0.47 111.814 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 116' ' ' SER . 44.8 mm-40 -73.42 -37.91 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.645 0.609 . . . . 0.32 112.645 -172.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.85 -38.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.663 0.268 . . . . 0.22 110.393 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -63.81 -42.56 97.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.383 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 m -63.05 -35.64 80.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.03 110.74 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.499 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -70.99 -43.95 66.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.18 110.114 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.456 ' SD ' HG21 ' A' ' 82' ' ' VAL . 48.2 mtp -57.6 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.26 111.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.85 -19.79 62.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.938 -0.573 . . . . 1.34 110.751 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.93 -55.85 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.301 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.2 ppp? . . . . . 0 C--N 1.324 -0.512 0 C-N-CA 120.816 -0.354 . . . . 1.63 111.366 -174.793 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.6 ttm180 . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 110.646 -0.131 . . . . 1.88 110.646 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.489 ' O ' ' HG2' ' A' ' 21' ' ' MET . 64.1 mtt -57.08 -38.94 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.732 0.301 . . . . 1.78 110.973 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.9 ptpt -74.58 -38.52 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.458 -0.497 . . . . 1.61 110.544 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.682 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.5 tmtp? -69.4 -40.52 77.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.99 110.629 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 16' ' ' ARG . 24.7 m -65.44 -31.46 53.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.21 110.458 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' MET . 24.2 mmt -65.57 -34.67 78.78 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.707 0.289 . . . . 2.72 110.292 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 11.9 mt-30 -64.98 -46.87 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.163 -0.68 . . . . 1.05 109.163 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 45.8 m-85 -64.12 -38.92 92.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.484 -0.78 . . . . 0.38 110.501 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 34.1 ttt180 -57.71 -40.85 80.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.149 -176.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.8 -34.09 76.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.017 0.437 . . . . 2.87 111.013 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -80.28 -13.17 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.329 0.585 . . . . 0.28 110.559 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.52 -13.55 19.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.502 -0.772 . . . . 0.21 110.902 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 60.7 m -91.19 104.63 17.16 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.2 111.403 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.55 173.37 16.4 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.841 -1.072 . . . . 0.79 111.545 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 m -98.95 124.2 52.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.419 -0.956 . . . . 1.03 108.419 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -146.42 148.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.62 -0.718 . . . . 0.26 109.753 -173.608 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.6 tmtt? -102.45 118.16 36.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.119 0.485 . . . . 0.67 110.481 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' ' HA ' ' A' ' 39' ' ' SER . 26.8 mt -85.9 143.87 27.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.21 110.687 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 30.0 mtmt -144.47 106.65 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.896 -0.593 . . . . 0.84 110.083 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.4 t -169.29 -165.81 0.56 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.956 -0.298 . . . . 0.34 110.515 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -63.08 -18.92 63.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.542 0.687 . . . . 3.02 110.084 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.65 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 37.4 tp -64.29 -64.86 0.77 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.658 -1.156 . . . . 1.0 109.472 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 10.2 p90 -179.83 -173.23 0.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.381 -0.827 . . . . 0.82 109.032 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.713 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 9.4 p -136.81 99.42 4.03 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.81 -0.441 . . . . 0.34 109.81 172.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 72.4 mm-40 -152.03 157.05 41.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 2.08 109.672 -175.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m -81.84 115.69 21.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.189 0.519 . . . . 0.32 110.168 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.14 161.4 15.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.741 -0.663 . . . . 0.23 109.866 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -102.45 122.97 45.36 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.164 -0.68 . . . . 1.61 109.164 172.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.757 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.49 159.1 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.371 -0.377 . . . . 0.35 110.546 -174.158 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 54' ' ' GLN . 13.2 t -176.53 -169.72 0.3 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.248 -1.019 . . . . 0.21 108.248 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 31.8 p -140.94 174.4 10.55 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.805 -0.358 . . . . 0.19 110.407 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 t -62.16 163.42 8.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.201 0.524 . . . . 1.15 110.706 176.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -73.6 -15.89 61.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.559 -0.746 . . . . 2.1 110.292 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -104.13 0.47 29.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.71 109.708 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' O ' HD11 ' A' ' 124' ' ' LEU . . . 71.63 6.73 63.38 Favored Glycine 0 C--O 1.222 -0.648 0 CA-C-N 115.645 -0.707 . . . . 0.43 112.845 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 46.6 mt-10 -82.56 -7.58 59.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.328 0.492 . . . . 1.99 112.328 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 47' ' ' SER . 24.4 mt-10 -142.95 147.84 35.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.692 -0.231 . . . . 1.49 110.937 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.4 t -100.55 138.54 24.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.877 -1.157 . . . . 0.34 107.877 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . 12.1 pt20 -148.28 150.08 33.02 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.953 -0.299 . . . . 2.12 110.269 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -141.85 162.02 36.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.403 0.621 . . . . 0.29 111.551 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 38.2 m-85 -118.89 126.3 51.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.863 -1.062 . . . . 0.53 108.914 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.189 0.518 . . . . 1.2 111.683 -171.211 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 12.0 Cg_exo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 121.327 0.47 . . . . 0.59 113.127 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -91.44 -10.11 42.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.323 -0.853 . . . . 1.02 110.302 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 178.8 47.6 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.066 -0.814 . . . . 0.26 111.066 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.24 -176.26 27.15 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.384 -0.912 . . . . 0.4 112.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 79' ' ' ILE . 1.7 p90 -167.07 157.25 10.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 122.352 0.261 . . . . 0.21 110.35 -175.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.9 137.2 40.76 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.25 112.681 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 125' ' ' MET . 55.7 t -66.76 -35.26 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.245 -0.889 . . . . 0.3 111.549 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.8 -17.95 64.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.188 0.518 . . . . 1.29 110.746 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.37 -5.75 42.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 1.54 111.951 -176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.619 HG12 ' CE2' ' A' ' 74' ' ' PHE . 12.0 mt -64.09 116.54 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.437 -0.579 . . . . 0.26 109.437 175.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 9.2 t -82.75 -33.51 27.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.648 -0.421 . . . . 0.28 110.905 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 m -159.89 131.53 6.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.86 0.362 . . . . 0.88 111.573 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' SD ' ' A' ' 125' ' ' MET . 74.1 t -110.28 107.82 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.449 -0.945 . . . . 1.36 108.449 171.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.601 ' HB2' HG13 ' A' ' 93' ' ' VAL . 8.5 mtpp -126.95 166.75 16.94 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.35 -0.841 . . . . 1.7 111.298 -171.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 p -119.12 154.57 33.03 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.639 -0.874 . . . . 0.72 108.639 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.1 mp0 -58.86 177.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.334 0.494 . . . . 0.47 112.334 -175.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.65 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.59 0.233 . . . . 0.72 111.176 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.67 -22.96 10.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.566 -0.531 . . . . 1.59 109.566 174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.5 p30 37.5 55.37 1.44 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.591 -1.186 . . . . 1.14 113.644 171.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.1 m -56.73 -67.07 0.34 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.454 -0.498 . . . . 0.68 109.901 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' THR . 18.7 ptmt -114.44 4.48 15.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.244 -0.434 . . . . 1.47 112.112 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.6 134.6 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.67 0.618 . . . . 0.39 112.67 -170.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.9 mp -114.95 152.22 32.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.274 0.63 . . . . 0.22 109.833 174.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.4 p -134.05 109.43 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.577 0.703 . . . . 0.24 111.018 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.458 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.0 mp -120.93 125.09 73.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.18 110.404 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 m -114.8 142.5 46.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 0.2 110.536 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.559 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.2 p -120.13 142.7 34.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.14 110.972 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.515 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 27.0 t-20 -117.96 140.44 49.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.328 -0.396 . . . . 1.87 110.428 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 9.2 t30 100.71 -58.34 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.58 1.552 . . . . 0.75 111.432 -177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 51.8 Cg_exo -58.69 170.85 2.3 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.482 1.455 . . . . 0.4 111.142 162.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -60.71 115.78 15.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.38 -0.6 . . . . 1.87 109.38 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.72 112.78 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.411 2.741 . . . . 0.57 113.108 -172.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -143.79 140.06 29.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.295 -0.866 . . . . 0.33 109.121 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 93' ' ' VAL . 97.7 m -116.43 108.64 16.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.307 0.575 . . . . 0.28 109.878 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -89.47 123.18 33.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.596 -0.729 . . . . 0.3 110.971 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.3 m-20 -100.07 103.67 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.554 -0.535 . . . . 0.46 109.554 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.414 ' HD1' HG11 ' A' ' 31' ' ' VAL . 92.9 m-85 -85.0 109.82 18.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.118 -0.697 . . . . 0.34 109.118 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.5 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 28.4 m -122.18 138.01 54.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.863 -0.608 . . . . 0.39 110.728 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -141.25 165.22 28.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.868 -0.419 . . . . 0.39 109.868 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.91 -25.78 67.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.099 0.476 . . . . 1.94 110.201 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.44 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 23.2 t -98.72 109.81 54.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.669 . . . . 1.03 110.153 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' SER . 6.7 Cg_endo -50.87 -39.61 58.36 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.805 2.337 . . . . 1.09 111.886 172.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.95 81.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.542 -0.837 . . . . 0.63 112.41 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.0 tp10 -63.09 -52.61 61.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 1.14 111.46 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.585 ' NH1' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -72.31 -36.02 68.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.58 -0.448 . . . . 2.83 110.867 -176.563 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.585 ' HG3' ' NH1' ' A' ' 114' ' ' ARG . 23.7 mt-10 -58.02 -41.46 83.19 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.846 -0.342 . . . . 1.59 110.734 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 m -59.01 -33.79 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 120.852 0.358 . . . . 1.15 110.386 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.545 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -72.1 -49.31 37.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 0.26 109.853 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.453 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.9 tp-100 -51.26 -50.25 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.759 -1.109 . . . . 0.74 112.14 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.62 -41.61 60.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.806 0.336 . . . . 0.47 111.731 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 39.3 mm-40 -68.61 -38.49 80.64 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.309 0.485 . . . . 0.32 112.309 -173.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.5 tp -62.74 -37.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.035 -0.266 . . . . 0.22 110.438 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.448 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.8 mt-30 -68.24 -38.84 82.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.43 . . . . 1.0 110.428 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.8 t -62.23 -37.98 87.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.65 -0.704 . . . . 1.03 110.069 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.5 tm? -68.38 -47.97 65.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.296 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.469 ' HG2' HD12 ' A' ' 79' ' ' ILE . 46.1 mtp -53.35 -52.51 58.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.491 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.75 -26.76 60.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.122 -0.49 . . . . 1.34 111.268 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.61 -42.42 92.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.832 0.348 . . . . 0.47 110.234 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 9.8 ptm . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.445 -0.343 . . . . 1.63 111.039 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.5 ttm180 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 110.288 -0.264 . . . . 1.88 110.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.8 mtp -56.02 -39.11 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.608 0.242 . . . . 1.78 111.319 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 12.4 ptpt -75.77 -34.02 60.23 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.416 -0.513 . . . . 1.61 110.673 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 5.4 tmtp? -75.44 -39.56 58.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.725 0.297 . . . . 0.99 111.323 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG21 ' C ' ' A' ' 49' ' ' ASP . 33.1 m -65.34 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.943 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 20.9 ptt? -71.22 -28.58 64.3 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 2.72 109.991 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.688 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 9.4 mt-30 -66.28 -49.89 65.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.013 -0.736 . . . . 1.05 109.013 172.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 47.4 m-85 -61.76 -31.22 71.39 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.417 -0.81 . . . . 0.38 110.312 175.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -61.02 -38.61 86.72 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.856 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HD3' ' O ' ' A' ' 21' ' ' MET . 2.3 mpp_? -64.67 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.097 0.475 . . . . 2.87 110.394 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -84.24 -15.58 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.28 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.3 mp -100.02 -13.87 18.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.822 -0.626 . . . . 0.21 110.633 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 91.9 m -83.03 104.8 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.568 -0.53 . . . . 0.2 109.568 175.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -147.64 164.81 32.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.697 -0.683 . . . . 0.79 110.182 -174.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -103.17 127.27 57.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.725 -0.843 . . . . 1.03 108.725 170.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.63 160.23 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 0.26 110.27 -172.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -113.31 124.7 53.11 Favored 'General case' 0 C--N 1.313 -1.007 0 O-C-N 121.921 -0.487 . . . . 0.67 110.194 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 39' ' ' SER . 23.9 mt -90.34 142.61 27.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.21 111.255 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 32.8 mtmt -144.41 106.4 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 0.84 109.92 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 37' ' ' LEU . 4.5 t -169.45 -166.59 0.61 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 121.073 -0.251 . . . . 0.34 110.554 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.89 -14.45 62.78 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.541 0.686 . . . . 3.02 110.144 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.538 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 24.8 tp -65.57 -64.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.036 -0.983 . . . . 1.0 109.192 172.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 178.62 -175.99 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.23 -0.895 . . . . 0.82 109.176 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.55 101.23 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 0.34 109.599 171.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -153.24 159.31 42.58 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.274 -0.421 . . . . 2.08 109.965 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 26.3 m -83.35 124.49 30.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.496 -0.557 . . . . 0.32 109.496 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.84 153.9 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.908 -0.587 . . . . 0.23 109.828 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 29.8 ttmt -100.11 119.63 38.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.029 -0.73 . . . . 1.61 109.029 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.15 156.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.133 0.492 . . . . 0.35 110.726 -174.306 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -174.17 -172.22 0.68 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.988 -1.005 . . . . 0.21 108.438 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' HB3' HD23 ' A' ' 27' ' ' LEU . 30.7 p -129.15 169.66 14.5 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.698 -0.401 . . . . 0.19 110.431 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.518 ' HB2' ' HB3' ' A' ' 52' ' ' GLU . 27.6 t -63.36 165.9 7.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 1.15 110.53 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.963 0.411 . . . . 2.1 110.25 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG21 ' A' ' 20' ' ' VAL . 3.2 m-20 -94.73 -0.99 53.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.71 110.136 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.28 4.47 73.81 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.963 -0.562 . . . . 0.43 112.624 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -73.38 1.07 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.025 0.38 . . . . 1.99 112.025 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 47' ' ' SER . 20.7 tt0 -153.62 150.87 29.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.936 -0.306 . . . . 1.49 111.657 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 76' ' ' VAL . 59.2 t -107.98 115.69 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.961 -1.126 . . . . 0.34 107.961 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.03 161.51 27.39 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.507 0.194 . . . . 2.12 110.653 -171.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 6.0 p90 -147.65 156.72 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 0.29 112.516 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 63.2 m-85 -115.1 112.02 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.911 -1.04 . . . . 0.53 109.189 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.4 mttt . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 1.2 111.986 -170.595 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 7.6 Cg_exo . . . . . 0 N--CA 1.459 -0.509 0 CA-C-O 120.921 0.3 . . . . 0.59 111.826 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -100.15 4.54 44.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 1.02 109.384 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.83 176.89 39.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.665 -0.974 . . . . 0.26 110.665 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 151.63 157.65 8.0 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.124 -1.036 . . . . 0.4 113.049 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -138.44 150.98 68.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.802 -0.444 . . . . 0.21 109.802 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 24.1 Cg_exo -64.22 143.52 83.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.25 112.715 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 56.0 t -71.14 -38.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.981 -1.009 . . . . 0.3 111.925 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.13 -14.92 61.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 1.29 110.399 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.631 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -92.24 -5.89 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 1.54 111.363 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.651 HG12 ' CE2' ' A' ' 74' ' ' PHE . 20.9 mt -65.16 124.77 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.34 -0.615 . . . . 0.26 109.34 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.521 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.6 t -87.13 -30.52 21.01 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.617 -0.433 . . . . 0.28 111.016 -175.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.1 m -158.18 136.21 10.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.88 111.355 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG21 HG23 ' A' ' 121' ' ' ILE . 3.8 p -117.45 106.78 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.475 -0.935 . . . . 1.36 108.475 173.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.712 ' HG3' HG13 ' A' ' 93' ' ' VAL . 14.9 pttt -135.27 168.06 19.88 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.142 -0.935 . . . . 1.7 111.312 -172.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -128.61 153.58 47.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.314 -0.857 . . . . 0.72 108.942 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.4 OUTLIER -60.86 167.26 2.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 0.47 111.183 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.72 111.886 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.52 -22.26 10.89 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.586 -0.524 . . . . 1.59 109.586 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.6 p30 37.97 53.52 1.59 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.102 -0.954 . . . . 1.14 112.987 175.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.523 HG22 ' HG3' ' A' ' 90' ' ' LYS . 48.0 m -47.77 -71.05 0.08 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.598 -0.274 . . . . 0.68 110.814 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.523 ' HG3' HG22 ' A' ' 89' ' ' THR . 91.7 mttt -116.22 8.54 14.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.54 0.209 . . . . 1.47 111.363 170.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 3.0 t -101.49 119.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.781 0.66 . . . . 0.39 112.781 -171.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 3.5 mp -105.69 152.22 23.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 0.22 109.792 171.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 83' ' ' LYS . 2.3 p -137.6 113.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.447 0.642 . . . . 0.24 111.128 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.484 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.3 mp -128.0 130.2 69.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.292 -0.413 . . . . 0.18 110.084 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -119.61 142.01 48.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.898 0.38 . . . . 0.2 110.734 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 1.5 p -118.84 140.74 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.14 110.876 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 18.2 t-20 -134.84 96.67 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.938 0.399 . . . . 1.87 111.517 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 164.87 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.195 1.398 . . . . 0.75 107.846 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.1 Cg_exo -64.27 172.05 6.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.726 1.617 . . . . 0.4 109.28 154.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.73 113.36 7.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.852 -0.425 . . . . 1.87 109.852 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -43.88 115.3 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.915 3.076 . . . . 0.57 113.727 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 m -138.08 145.64 41.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.159 -0.928 . . . . 0.33 109.357 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.6 m -117.49 110.76 18.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.063 0.459 . . . . 0.28 110.055 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -91.99 125.77 36.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.056 -0.52 . . . . 0.3 110.69 -174.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.612 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m120 -103.03 106.39 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.652 -0.499 . . . . 0.46 109.652 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -84.87 111.36 19.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.529 -0.545 . . . . 0.34 109.529 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.568 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 17.8 m -120.28 138.54 53.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.39 110.238 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -140.46 178.42 7.33 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.768 -0.373 . . . . 0.39 110.062 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 90' ' ' LYS . 1.5 tmtp? -73.01 -38.9 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.21 -0.663 . . . . 1.94 109.21 174.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -84.32 124.3 73.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.301 -0.863 . . . . 1.03 111.036 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.673 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 16.0 Cg_exo -67.83 -24.35 40.46 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.409 2.073 . . . . 1.09 110.986 172.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.47 -38.81 10.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.89 -0.671 . . . . 0.63 112.786 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -56.25 -46.6 79.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.373 0.606 . . . . 1.14 111.108 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.2 OUTLIER -70.0 -40.12 75.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.463 -0.79 . . . . 2.83 110.733 -174.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 23.1 mt-10 -66.95 -35.0 78.99 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.633 0.254 . . . . 1.59 110.715 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -56.62 -38.24 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.402 -0.592 . . . . 1.15 109.402 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -46.65 54.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.26 110.113 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -55.42 -49.83 71.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.454 -0.794 . . . . 0.74 111.989 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 12.1 pt-20 -70.88 -32.88 70.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 0.47 111.263 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.52 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 48.9 mm-40 -76.29 -42.34 45.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.32 112.332 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 82' ' ' VAL . 9.9 tp -62.67 -35.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.464 -0.334 . . . . 0.22 110.131 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 43.7 mt-30 -56.75 -45.4 82.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.241 0.543 . . . . 1.0 110.071 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 m -67.41 -42.19 83.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.443 -0.799 . . . . 1.03 111.185 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.433 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -65.54 -47.06 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.073 -0.343 . . . . 0.18 110.073 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.566 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 40.2 mtp -54.88 -52.32 63.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.26 111.288 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 73.5 mmtt -71.27 -32.66 68.95 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.32 -0.4 . . . . 1.34 110.801 -176.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.425 ' HE1' ' HA ' ' A' ' 16' ' ' ARG . 86.9 t80 -53.65 -42.82 68.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.891 0.377 . . . . 0.47 111.138 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.0 ptm . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.449 -0.341 . . . . 1.63 111.758 -179.621 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttm180 . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.76 -0.089 . . . . 1.88 110.76 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.9 mtt -56.83 -40.33 75.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.573 -0.285 . . . . 1.78 111.061 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 25.5 pttt -76.06 -37.34 58.37 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.446 -0.501 . . . . 1.61 110.395 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HD2' ' HE1' ' A' ' 23' ' ' TYR . 5.1 tmtp? -71.74 -37.07 70.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.99 110.678 -173.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.1 m -65.93 -31.3 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.253 -0.43 . . . . 0.21 110.21 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.3 mmm -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 2.72 110.489 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 12.3 mt-30 -66.94 -47.06 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.119 -0.697 . . . . 1.05 109.119 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CD1' HD23 ' A' ' 124' ' ' LEU . 48.9 m-85 -63.63 -33.83 76.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.506 -0.77 . . . . 0.38 110.584 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 43.7 ttt180 -61.05 -41.2 96.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.886 -176.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.981 0.42 . . . . 2.87 110.287 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.26 -24.04 47.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.906 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.5 mp -91.69 -18.69 23.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.51 177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 86.6 m -75.81 106.12 7.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.226 -0.657 . . . . 0.2 109.226 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 169.78 21.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.107 -0.497 . . . . 0.79 110.149 -175.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.02 125.65 63.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.859 -0.793 . . . . 1.03 108.859 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.26 149.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.818 0.342 . . . . 0.26 110.672 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.0 tmtt? -99.33 118.0 35.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.67 110.253 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.2 mt -85.96 144.21 27.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.21 110.909 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -143.03 106.28 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.68 -0.691 . . . . 0.84 109.527 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.7 t -169.04 -169.43 0.97 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.162 -0.31 . . . . 0.34 110.162 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.04 -15.51 59.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.317 0.58 . . . . 3.02 110.395 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' A' ' 35' ' ' THR . 50.6 tp -64.84 -57.58 8.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.27 -0.877 . . . . 1.0 108.91 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 170.54 -169.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 124.154 0.909 . . . . 0.82 108.842 177.427 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.2 p -137.39 100.75 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.026 -0.361 . . . . 0.34 110.026 173.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.613 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.8 mm-40 -158.69 163.81 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.051 -0.522 . . . . 2.08 110.338 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 55.2 m -83.22 122.2 28.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.139 0.495 . . . . 0.32 110.614 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.8 m -122.55 164.95 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.718 -0.674 . . . . 0.23 109.73 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -109.3 121.78 45.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.906 -0.776 . . . . 1.61 108.906 171.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.72 160.94 3.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 110.174 -0.306 . . . . 0.35 110.174 -175.073 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.3 t -179.53 -173.04 0.24 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.859 -0.793 . . . . 0.21 108.859 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.514 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -134.15 164.27 27.73 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.567 -0.531 . . . . 0.19 109.567 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -72.92 172.31 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.273 -0.269 . . . . 1.15 110.273 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.66 -45.55 91.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.512 0.56 . . . . 2.1 112.512 -170.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.82 3.09 46.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.643 0.258 . . . . 0.71 110.967 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.13 -3.02 59.31 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 121.068 -0.587 . . . . 0.43 113.047 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.93 -28.48 69.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 1.99 111.876 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.85 149.96 49.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.878 0.325 . . . . 1.49 111.878 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 55.4 t -106.1 129.93 58.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.084 -1.08 . . . . 0.34 108.084 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HG3' HG23 ' A' ' 45' ' ' THR . 13.0 pt20 -135.1 153.35 52.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.812 0.339 . . . . 2.12 110.572 -174.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -143.19 154.64 44.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.807 0.813 . . . . 0.29 111.603 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.74 102.69 10.96 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.786 -1.097 . . . . 0.53 109.258 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 48.0 mtmt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.207 -0.451 . . . . 1.2 110.589 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.461 -0.41 0 CA-C-O 121.02 0.342 . . . . 0.59 111.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 15.6 t -106.81 13.66 27.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.637 0.732 . . . . 1.02 109.299 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.0 156.47 11.6 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.087 -0.961 . . . . 0.26 111.089 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.25 159.84 23.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.616 -0.802 . . . . 0.4 112.356 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.699 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -156.5 156.77 30.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 4.4 Cg_exo -72.24 139.99 33.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.731 2.287 . . . . 0.25 112.735 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 2.4 t -63.15 -40.6 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.635 -1.166 . . . . 0.3 112.334 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.43 -11.04 60.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.861 0.362 . . . . 1.29 111.358 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -95.46 -7.6 37.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 1.54 111.194 -178.384 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' CE2' ' A' ' 74' ' ' PHE . 25.0 mt -64.07 112.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.593 -0.521 . . . . 0.26 109.593 174.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.518 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 13.4 t -78.64 -29.19 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.497 -0.319 . . . . 0.28 111.032 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.484 ' CB ' ' HE2' ' A' ' 83' ' ' LYS . 64.6 m -157.72 131.21 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.893 0.378 . . . . 0.88 111.477 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.571 HG22 HE22 ' A' ' 118' ' ' GLN . 3.7 p -117.88 106.55 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.496 -0.927 . . . . 1.36 108.496 173.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.484 ' HE2' ' CB ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -139.1 166.05 25.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.506 0.67 . . . . 1.7 111.292 -170.264 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 p -109.82 154.81 22.48 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.655 -0.869 . . . . 0.72 108.655 170.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.1 mp0 -56.97 179.58 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.139 0.422 . . . . 0.47 112.139 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.87 75.31 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.804 -0.359 . . . . 0.72 110.295 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.77 -26.12 14.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.306 0.574 . . . . 1.59 110.122 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.621 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.15 42.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 113.511 -1.677 . . . . 1.14 114.532 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.5 m -53.35 -68.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.761 0.315 . . . . 0.68 110.295 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 5.8 ptpp? -113.39 13.48 18.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.368 -0.378 . . . . 1.47 110.863 171.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.44 128.09 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.857 0.688 . . . . 0.39 112.857 -169.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.4 mp -111.86 152.36 28.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.955 -0.566 . . . . 0.22 109.926 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.432 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.4 p -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.76 0.791 . . . . 0.24 111.407 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.432 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.0 mp -119.96 131.71 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.715 . . . . 0.18 109.781 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -123.26 144.34 49.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.616 0.246 . . . . 0.2 110.492 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.0 p -118.52 146.57 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.512 -0.313 . . . . 0.14 111.284 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.518 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 26.6 t-20 -123.79 138.24 54.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.327 -0.397 . . . . 1.87 110.282 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.2 t30 102.33 -59.8 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.594 1.558 . . . . 0.75 111.069 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.5 172.37 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.494 1.463 . . . . 0.4 110.889 161.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.66 113.99 8.46 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.85 -0.426 . . . . 1.87 109.85 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.85 112.51 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.623 2.882 . . . . 0.57 113.105 -172.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -144.35 146.19 32.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.266 -0.879 . . . . 0.33 109.609 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' VAL . 93.9 m -120.44 108.52 14.21 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.558 -0.534 . . . . 0.28 109.558 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -90.03 122.38 32.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.959 -0.564 . . . . 0.3 110.861 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.1 m-20 -102.03 105.36 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.46 109.445 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -84.61 110.86 19.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.549 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 19.0 m -120.98 136.24 55.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.686 -0.688 . . . . 0.39 110.377 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -141.35 172.14 13.09 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.73 -0.388 . . . . 0.39 110.217 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.58 -42.26 78.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.2 0.524 . . . . 1.94 109.645 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -72.25 124.1 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.555 -0.748 . . . . 1.03 111.425 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.431 ' C ' HH21 ' A' ' 114' ' ' ARG . 13.0 Cg_exo -70.8 2.34 4.21 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.589 2.193 . . . . 1.09 111.751 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.99 -45.04 0.9 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.735 -0.745 . . . . 0.63 112.509 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.44 -45.18 55.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.582 0.586 . . . . 1.14 112.582 -171.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -69.67 -47.44 63.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.871 -0.604 . . . . 2.83 110.925 -172.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.75 -32.12 70.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.436 -0.347 . . . . 1.59 111.336 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.459 . . . . 1.15 109.824 170.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -72.49 -45.04 61.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.26 109.459 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.655 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 48.6 tp60 -51.93 -50.26 61.51 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.033 -0.985 . . . . 0.74 112.242 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.56 -29.52 64.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.118 0.485 . . . . 0.47 111.051 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 42.5 mm-40 -75.69 -45.53 36.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.103 -0.499 . . . . 0.32 111.753 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' A' ' 125' ' ' MET . 6.8 tp -60.07 -44.31 94.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.501 -0.318 . . . . 0.22 110.76 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 11.3 pt20 -69.38 -31.57 70.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.874 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.4 m -71.33 -34.96 71.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.298 -0.41 . . . . 1.03 110.221 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -66.51 -45.35 79.83 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.292 -0.633 . . . . 0.18 109.292 174.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.525 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.5 mtp -54.17 -53.81 48.31 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.26 110.729 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -71.27 -28.28 64.03 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.553 -0.294 . . . . 1.34 111.13 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -55.08 -40.61 70.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.894 0.378 . . . . 0.47 110.823 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.63 111.475 178.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.5 ttm180 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 120.283 0.087 . . . . 1.88 111.187 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.9 -38.62 82.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.707 0.289 . . . . 1.78 111.318 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 17.4 ptpt -75.59 -34.68 60.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.524 -0.471 . . . . 1.61 110.036 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.4 tmtp? -73.35 -39.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 0.99 111.104 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.9 m -63.73 -31.17 52.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.605 -0.27 . . . . 0.21 110.316 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.021 0.438 . . . . 2.72 110.436 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 9.4 mt-30 -66.07 -40.29 90.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.795 -0.639 . . . . 1.05 109.591 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -70.6 -36.1 73.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.559 -0.746 . . . . 0.38 110.298 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 27.3 ttt180 -58.94 -42.11 89.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.57 110.891 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -65.44 -33.51 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.847 0.356 . . . . 2.87 110.786 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -17.3 50.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.288 0.566 . . . . 0.28 110.931 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.11 -14.24 21.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.899 -0.592 . . . . 0.21 110.725 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.4 m -84.77 105.79 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.144 0.497 . . . . 0.2 110.18 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.0 mptm? -150.6 171.14 17.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.384 -0.825 . . . . 0.79 109.417 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 108' ' ' PHE . 1.1 t -108.86 129.71 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 107.696 -1.224 . . . . 1.03 107.696 166.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.15 148.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.976 -0.556 . . . . 0.26 109.643 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 8.1 tmtt? -100.23 118.74 37.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.079 0.466 . . . . 0.67 110.619 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 39' ' ' SER . 21.0 mt -85.64 145.56 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.68 -0.691 . . . . 0.21 110.618 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.9 mtmt -145.96 106.6 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.84 109.889 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.1 t -169.14 -168.29 0.82 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.267 -0.272 . . . . 0.34 110.267 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -60.27 -21.0 61.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.321 0.581 . . . . 3.02 110.254 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -64.35 -62.6 1.5 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 1.0 109.69 176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 177.88 -175.42 0.17 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.755 -0.657 . . . . 0.82 109.408 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 44.1 p -133.42 99.15 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.766 -0.457 . . . . 0.34 109.766 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 76.7 mm-40 -153.32 157.98 40.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.815 -0.439 . . . . 2.08 109.815 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 84.8 m -80.53 119.65 23.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 0.32 109.711 174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.43 152.51 20.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.465 -0.789 . . . . 0.23 109.213 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 40.3 ttpt -97.22 119.86 36.5 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.779 -0.822 . . . . 1.61 108.779 173.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.2 152.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.784 -0.45 . . . . 0.35 109.784 -173.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 t -171.38 -171.02 0.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.552 -0.907 . . . . 0.21 108.552 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.7 p -144.17 164.79 29.68 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.771 -0.372 . . . . 0.19 111.092 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 t -60.75 160.08 9.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.82 -0.627 . . . . 1.15 110.869 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.81 -13.3 62.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 2.1 112.105 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -110.43 8.2 23.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.04 0.448 . . . . 0.71 110.072 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.36 23.38 64.44 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.339 -0.846 . . . . 0.43 112.682 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.55 -12.17 54.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 1.99 111.436 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -149.79 148.01 28.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.798 -0.361 . . . . 1.49 111.06 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -109.13 126.41 66.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.763 -0.829 . . . . 0.34 108.763 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 5.0 mm-40 -120.4 159.79 24.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.549 0.214 . . . . 2.12 110.538 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.2 151.41 36.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.525 0.679 . . . . 0.29 111.377 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.76 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 54.3 m-85 -117.36 112.85 21.27 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.101 -0.954 . . . . 0.53 109.335 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' HB3' ' A' ' 71' ' ' SER . 44.9 mtmt . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.252 -0.431 . . . . 1.2 111.391 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.76 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 8.3 Cg_exo . . . . . 0 N--CA 1.461 -0.397 0 CA-C-O 121.373 0.489 . . . . 0.59 112.68 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 7.9 t -104.42 17.24 24.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.662 -0.866 . . . . 1.02 108.662 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.03 162.71 11.01 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.845 -1.07 . . . . 0.26 110.801 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.93 -172.93 42.19 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.371 -0.918 . . . . 0.4 112.594 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -166.08 150.94 7.53 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.627 0.251 . . . . 0.21 110.357 179.319 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 17.3 Cg_exo -66.61 138.08 48.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.93 2.42 . . . . 0.25 112.464 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 53' ' ' VAL . 67.3 t -62.41 -39.26 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.974 -1.012 . . . . 0.3 111.513 -177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.28 -17.77 63.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.808 -0.633 . . . . 1.29 111.179 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 12.0 mptt -95.54 -5.53 42.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.193 -0.458 . . . . 1.54 111.691 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.641 HG12 ' CE2' ' A' ' 74' ' ' PHE . 26.4 mt -65.8 129.53 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.97 -0.752 . . . . 0.26 108.97 173.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 8.9 t -90.58 -40.43 11.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.105 -0.638 . . . . 0.28 111.249 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.9 m -158.94 138.15 11.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.774 0.321 . . . . 0.88 111.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.638 HG12 ' NE2' ' A' ' 118' ' ' GLN . 70.6 t -119.46 107.73 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.422 -0.584 . . . . 1.36 109.422 177.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 167.23 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.665 0.745 . . . . 1.7 111.51 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -111.4 155.55 22.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.72 108.738 171.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.505 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.2 mp0 -61.71 -173.82 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.081 0.4 . . . . 0.47 112.081 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.71 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.939 0.399 . . . . 0.72 110.519 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.8 -26.06 12.4 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.71 -0.478 . . . . 1.59 109.71 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.505 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 7.9 p30 34.65 39.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.856 1.428 . . . . 1.14 114.856 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 53.4 m -57.24 -58.59 7.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.424 -0.51 . . . . 0.68 110.047 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 4.4 ptpp? -115.91 12.51 15.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 1.47 112.203 169.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.6 128.96 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.552 0.575 . . . . 0.39 112.552 -169.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.3 mp -117.39 152.08 35.71 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.029 -0.532 . . . . 0.22 109.979 174.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.473 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.0 p -136.54 109.64 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.648 0.737 . . . . 0.24 111.349 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -122.91 132.51 71.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 0.18 110.451 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.6 m -121.4 145.02 48.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.2 110.739 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.415 ' HA ' ' H ' ' A' ' 80' ' ' THR . 1.9 p -119.54 140.85 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.14 110.466 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 20.0 t-20 -132.04 96.27 3.87 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.105 0.479 . . . . 1.87 111.783 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.658 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.7 t30 165.1 -55.23 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.605 0 CA-C-N 114.113 -1.403 . . . . 0.75 108.108 171.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.0 Cg_exo -60.64 172.72 2.57 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 121.82 1.68 . . . . 0.4 109.516 156.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.02 115.19 11.98 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.748 -0.464 . . . . 1.87 109.748 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.03 114.8 0.6 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.955 3.103 . . . . 0.57 113.378 -173.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -141.77 145.04 34.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.425 -0.807 . . . . 0.33 109.837 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 96.8 m -117.69 114.87 23.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.084 0.469 . . . . 0.28 110.066 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -95.5 129.12 42.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.838 -0.619 . . . . 0.3 110.736 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m-20 -103.85 105.47 15.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.46 109.329 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 94' ' ' ILE . 70.5 m-85 -83.91 110.49 18.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.943 -0.762 . . . . 0.34 108.943 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.579 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 29.8 m -120.88 134.04 55.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.7 -0.682 . . . . 0.39 110.412 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 30' ' ' VAL . 4.1 t80 -141.39 170.23 16.12 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.795 -0.446 . . . . 0.39 109.795 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.4 -48.92 68.55 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.491 1.138 . . . . 1.94 108.317 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 2.4 m -74.55 117.45 62.25 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 112.777 -2.01 . . . . 1.03 111.338 -172.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 24.8 Cg_exo -61.86 -38.45 59.07 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.627 2.218 . . . . 1.09 111.925 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.6 -27.02 63.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.675 -0.774 . . . . 0.63 112.903 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 8.4 tp10 -63.41 -51.16 66.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 1.14 110.851 -174.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -71.2 -37.66 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.512 -0.767 . . . . 2.83 110.612 -175.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.508 ' HG3' ' NH2' ' A' ' 114' ' ' ARG . 38.9 mt-10 -64.7 -42.78 95.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.59 111.25 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -60.57 -33.73 73.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 1.15 110.055 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 -46.38 62.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.26 110.12 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.638 ' NE2' HG12 ' A' ' 82' ' ' VAL . 51.0 tp60 -51.98 -48.78 64.22 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.214 -0.903 . . . . 0.74 112.265 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.62 -40.59 61.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.713 0.292 . . . . 0.47 111.441 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.24 -40.05 89.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.406 0.521 . . . . 0.32 112.406 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.56 -38.57 81.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.79 0.328 . . . . 0.22 110.395 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.34 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.255 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 m -62.09 -35.67 79.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 1.03 110.56 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.9 tm? -71.05 -45.9 62.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.18 110.049 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 44.9 mtp -58.59 -51.99 67.54 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.26 111.26 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -72.9 -17.94 61.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.931 -0.577 . . . . 1.34 111.255 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -71.52 -59.46 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.026 -0.533 . . . . 0.47 111.449 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.8 ppp? . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 1.63 111.599 -172.735 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttt180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.199 -0.297 . . . . 1.88 110.199 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.5 mtp -60.01 -39.38 85.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.312 . . . . 1.78 111.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.716 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.4 ptpp? -74.44 -33.17 62.87 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.073 -0.651 . . . . 1.61 110.898 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.712 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.8 tmtp? -74.5 -38.79 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.934 -0.479 . . . . 0.99 110.754 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.9 m -67.06 -31.75 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.686 -0.234 . . . . 0.21 111.077 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 15.8 ptp -70.19 -30.62 67.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.565 -0.454 . . . . 2.72 109.959 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.716 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 10.4 mt-30 -62.9 -50.44 70.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.035 -0.728 . . . . 1.05 109.035 172.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.712 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 41.1 m-85 -63.0 -35.46 80.28 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.401 -0.818 . . . . 0.38 110.471 177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.572 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 42.8 ttt180 -58.4 -40.21 81.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.58 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 21' ' ' MET . 85.1 mtt180 -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.209 0.528 . . . . 2.87 110.592 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.67 -13.02 60.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.28 111.194 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -20.93 15.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.792 -0.64 . . . . 0.21 110.758 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.8 m -76.86 105.28 7.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.133 0.492 . . . . 0.2 109.994 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -149.18 165.71 31.01 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.377 -0.828 . . . . 0.79 109.479 -175.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.36 125.77 56.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 107.993 -1.114 . . . . 1.03 107.993 169.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.13 149.57 15.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.205 -0.452 . . . . 0.26 110.409 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 10.0 tmtt? -101.9 121.09 41.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.985 0.421 . . . . 0.67 110.394 -178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.8 mt -85.82 143.57 28.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.89 -0.595 . . . . 0.21 110.651 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 25.8 mtmt -146.04 106.03 4.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.84 109.853 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.7 t -169.36 -170.87 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.209 -0.293 . . . . 0.34 110.209 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -60.38 -18.92 53.59 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.264 0.554 . . . . 3.02 110.413 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB3' HG23 ' A' ' 35' ' ' THR . 30.4 tp -63.2 -66.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 1.0 108.876 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 2.8 p90 -178.46 -175.38 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.487 -0.778 . . . . 0.82 109.205 176.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.65 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 10.1 p -129.21 99.32 5.19 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.205 -0.665 . . . . 0.34 109.205 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -146.84 156.15 42.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.178 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 20.2 m -83.26 117.03 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.235 -0.654 . . . . 0.32 109.235 174.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -121.56 153.43 25.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.818 0.342 . . . . 0.23 110.351 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 26.0 ttpp -98.75 116.54 31.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.631 -0.878 . . . . 1.61 108.631 171.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.33 157.99 3.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.404 -0.362 . . . . 0.35 110.207 -175.139 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -178.97 -169.39 0.15 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.413 -0.812 . . . . 0.21 108.939 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 p -136.78 162.88 31.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.881 -0.414 . . . . 0.19 109.881 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 t -65.09 170.74 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.439 -0.346 . . . . 1.15 110.712 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.92 -47.96 81.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.929 0.344 . . . . 2.1 111.929 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.73 6.81 26.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.71 110.405 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.04 6.46 68.26 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.894 -0.593 . . . . 0.43 113.584 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -70.06 -24.79 63.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.683 0.623 . . . . 1.99 112.683 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 75' ' ' PRO . 14.1 mt-10 -134.83 150.19 50.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.148 0.425 . . . . 1.49 112.148 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 76' ' ' VAL . 45.2 t -95.8 137.39 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.972 -1.122 . . . . 0.34 107.972 170.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -137.1 158.66 43.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.04 -0.264 . . . . 2.12 110.717 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.59 151.65 36.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.571 0.7 . . . . 0.29 111.99 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -113.58 116.57 29.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.848 -1.069 . . . . 0.53 109.145 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.71 0.291 . . . . 1.2 111.314 -173.308 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 C--O 1.234 0.319 0 CA-C-O 121.017 0.34 . . . . 0.59 111.813 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -92.74 0.06 57.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.966 -0.561 . . . . 1.02 110.28 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.92 172.45 42.39 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.963 -0.637 . . . . 0.26 111.711 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 -177.27 35.42 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.831 -0.7 . . . . 0.4 112.322 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.674 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -162.43 158.66 20.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 110.307 -0.257 . . . . 0.21 110.307 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 52' ' ' GLU . 14.4 Cg_exo -69.53 135.73 31.76 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.449 . . . . 0.25 112.612 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.413 ' HB ' ' SD ' ' A' ' 128' ' ' MET . 78.6 t -64.17 -35.63 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.118 -0.947 . . . . 0.3 111.235 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.68 -13.5 62.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.612 -0.722 . . . . 1.29 110.96 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -103.55 -6.56 21.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.833 -0.621 . . . . 1.54 111.969 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.674 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.5 mt -64.32 114.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.545 -0.539 . . . . 0.26 109.545 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 10.8 t -81.56 -36.1 29.46 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.826 -0.349 . . . . 0.28 111.228 -175.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 68.5 m -153.36 131.6 11.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.88 111.889 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 125' ' ' MET . 62.7 t -114.94 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.215 -1.032 . . . . 1.36 108.215 170.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -134.05 166.67 22.2 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.369 -0.832 . . . . 1.7 110.24 -170.412 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 118' ' ' GLN . 77.9 p -115.19 154.45 28.98 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.212 -0.662 . . . . 0.72 109.212 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.627 HE22 ' HB ' ' A' ' 93' ' ' VAL . 2.1 mp0 -60.78 179.73 0.16 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.331 0.493 . . . . 0.47 112.331 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.6 86.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.818 0.342 . . . . 0.72 110.841 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.13 -26.99 13.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.935 -0.394 . . . . 1.59 109.935 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.589 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.41 41.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.215 1.561 . . . . 1.14 115.215 173.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -53.44 -66.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.46 -0.496 . . . . 0.68 109.932 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 5.3 ptpp? -113.71 12.02 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.539 . . . . 1.47 112.245 172.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.88 111.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.488 0.551 . . . . 0.39 112.488 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.641 ' HG ' ' OE1' ' A' ' 118' ' ' GLN . 7.8 mp -98.94 149.94 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 0.22 109.999 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.627 ' HB ' HE22 ' A' ' 85' ' ' GLN . 2.3 p -133.32 110.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.764 0.792 . . . . 0.24 111.382 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.42 HD13 ' CD2' ' A' ' 106' ' ' PHE . 2.1 mp -118.02 131.37 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 0.18 110.326 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -123.13 145.57 48.48 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.097 -0.334 . . . . 0.2 110.097 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.526 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 p -118.65 145.32 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.769 0.318 . . . . 0.14 111.288 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 24.8 t-20 -122.79 142.27 50.92 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.152 -0.476 . . . . 1.87 110.239 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 27.3 t-20 100.59 -61.28 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 125.492 1.517 . . . . 0.75 111.294 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 35.6 Cg_exo -61.17 172.64 3.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.635 1.557 . . . . 0.4 110.67 164.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.46 110.16 2.66 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 1.87 109.708 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.63 115.16 1.11 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.931 3.087 . . . . 0.57 113.654 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 m -140.55 139.05 34.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.441 -0.799 . . . . 0.33 109.718 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.3 m -111.0 120.03 41.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.28 110.047 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -103.17 125.58 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.3 110.582 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 14.1 m120 -105.07 106.85 17.53 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.283 0.563 . . . . 0.46 109.948 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 44' ' ' VAL . 63.3 m-85 -84.89 113.71 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.856 -1.065 . . . . 0.34 109.003 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.507 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 11.8 m -120.73 135.49 55.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.329 -0.396 . . . . 0.39 110.969 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB2' ' NH2' ' A' ' 114' ' ' ARG . 1.8 t80 -141.64 159.14 42.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.714 -0.476 . . . . 0.39 109.714 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.87 -36.1 81.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.064 0.459 . . . . 1.94 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 43.9 t -76.05 118.45 71.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 1.03 111.022 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.74 -26.67 38.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.718 2.278 . . . . 1.09 112.046 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.23 -31.83 53.86 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.666 -0.778 . . . . 0.63 111.353 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 7.1 tp10 -60.99 -41.58 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 1.14 110.012 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.15 -50.14 71.97 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.064 -0.971 . . . . 2.83 109.773 178.303 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 45.6 mt-10 -66.06 -46.09 79.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.295 -1.32 . . . . 1.59 111.487 -175.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.69 -41.78 82.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.439 0.462 . . . . 1.15 110.86 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -44.62 61.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.593 -0.276 . . . . 0.26 111.087 -176.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.641 ' OE1' ' HG ' ' A' ' 92' ' ' LEU . 7.8 tp60 -55.23 -48.83 73.35 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.846 -0.616 . . . . 0.74 112.028 -174.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.7 pt-20 -75.0 -38.77 61.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.986 0.422 . . . . 0.47 111.836 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 49.2 mm-40 -65.97 -41.92 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.04 -0.527 . . . . 0.32 112.259 -173.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.46 -37.42 78.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.344 -0.389 . . . . 0.22 110.576 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.86 -37.5 81.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.486 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 t -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.736 -0.665 . . . . 1.03 110.081 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -66.96 -45.38 77.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.18 109.778 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.452 ' HG2' HD12 ' A' ' 79' ' ' ILE . 50.7 mtp -57.16 -51.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.26 111.13 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -72.3 -18.07 61.82 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.06 -0.518 . . . . 1.34 111.435 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.15 -57.57 3.93 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 120.323 -0.551 . . . . 0.47 111.089 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.469 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 1.7 ptm . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 112.358 0.503 . . . . 1.63 112.358 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 2.9 m . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 109.543 -0.54 . . . . 1.81 109.543 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.35 71.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.558 0.577 . . . . 0.97 112.558 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -80.22 -46.65 15.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.789 -0.449 . . . . 1.64 109.789 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' HB3' ' HB2' ' A' ' 11' ' ' SER . 30.4 t70 -59.89 -46.84 88.04 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 2.69 111.305 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.626 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.9 tp -64.37 -37.7 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.543 -0.299 . . . . 0.59 110.417 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.08 -48.82 67.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.126 -0.23 . . . . 1.88 110.648 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' ' HG2' ' A' ' 21' ' ' MET . 66.6 mtt -61.43 -34.69 75.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.634 -0.257 . . . . 1.78 111.176 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -75.7 -35.99 60.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.281 -0.568 . . . . 1.61 110.505 175.232 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -72.62 -39.15 67.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.99 110.724 -174.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 31.2 m -64.3 -31.65 54.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.21 110.248 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 17' ' ' MET . 25.1 mmt -65.59 -34.39 78.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.107 0.48 . . . . 2.72 110.306 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.684 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 43.6 mt-30 -65.93 -46.21 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.05 109.327 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 51.9 m-85 -67.35 -31.82 72.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.705 . . . . 0.38 110.508 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 28.3 ttt180 -60.64 -41.18 94.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.57 110.835 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -66.93 -35.57 80.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.404 . . . . 2.87 110.616 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.35 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.888 -0.596 . . . . 0.28 111.084 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.66 -19.95 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.044 -0.525 . . . . 0.21 110.396 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 85.4 m -76.37 107.23 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.146 -0.687 . . . . 0.2 109.146 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 172.51 16.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.74 126.62 68.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.103 -0.702 . . . . 1.03 109.103 171.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.01 149.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.26 110.377 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.24 120.65 40.83 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.083 0.468 . . . . 0.67 110.194 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.0 mt -86.78 146.08 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.21 110.836 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -145.96 106.07 4.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.535 -0.543 . . . . 0.84 109.535 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.9 t -169.87 -168.26 0.74 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 121.072 -0.251 . . . . 0.34 110.479 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -66.34 -16.45 64.06 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.32 0.581 . . . . 3.02 110.239 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 26.0 tp -65.03 -61.66 2.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.041 173.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.545 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.0 p90 177.72 -178.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.214 -0.903 . . . . 0.82 109.038 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.45 100.15 5.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.372 -0.603 . . . . 0.34 109.372 171.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -151.91 157.43 41.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.618 -0.512 . . . . 2.08 109.618 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 44.6 m -83.05 115.8 22.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.599 -0.519 . . . . 0.32 109.599 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.63 159.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.989 -0.55 . . . . 0.23 110.554 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 39.8 ttpt -102.86 122.71 45.09 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.93 -0.767 . . . . 1.61 108.93 171.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.39 159.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 110.136 -0.32 . . . . 0.35 110.136 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -175.14 -172.01 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.796 -0.816 . . . . 0.21 108.796 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -138.78 161.16 37.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.818 -0.438 . . . . 0.19 109.818 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.548 ' OG ' ' HB2' ' A' ' 52' ' ' GLU . 55.7 m -66.4 -179.2 0.77 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.72 0.267 . . . . 1.15 111.72 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.35 -50.4 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.686 0.279 . . . . 2.1 111.019 -170.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.77 13.09 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 0.71 110.778 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.97 46.22 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 111.73 -0.548 . . . . 0.43 111.73 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 12.9 pt-20 -72.34 -16.18 61.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.523 0.564 . . . . 1.99 112.523 -172.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.548 ' HB2' ' OG ' ' A' ' 47' ' ' SER . 39.8 mt-10 -143.17 153.61 43.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.73 -0.214 . . . . 1.49 111.389 -174.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 59.9 t -106.06 129.25 59.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.34 108.514 170.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HA3' ' A' ' 73' ' ' GLY . 9.3 mm-40 -127.58 156.43 42.27 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.147 -0.316 . . . . 2.12 110.147 -173.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 20.9 p90 -144.26 155.5 43.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.381 0.61 . . . . 0.29 111.66 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.0 m-85 -120.5 119.58 33.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.964 -1.017 . . . . 0.53 109.397 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 71' ' ' SER . 6.4 mtmp? -81.68 107.4 14.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.729 0.299 . . . . 1.2 110.675 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.53 -114.41 6.69 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.397 -0.82 . . . . 1.35 112.418 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -95.95 123.46 39.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.269 -0.641 . . . . 4.98 109.269 176.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.44 ' OG ' ' HB3' ' A' ' 56' ' ' PHE . 36.1 p -127.98 179.64 5.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.956 -0.565 . . . . 3.89 111.188 -172.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.3 p -121.36 82.0 1.87 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.609 -0.723 . . . . 2.95 110.071 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -52.38 107.15 0.19 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.1 -0.5 . . . . 1.69 111.057 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.25 111.22 0.26 Allowed Glycine 0 C--N 1.334 0.418 0 O-C-N 124.393 1.058 . . . . 1.99 114.622 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . 58.25 29.31 17.84 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.348 0.659 . . . . 1.76 111.99 175.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 71.26 -16.11 0.38 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.404 0.681 . . . . 3.33 111.411 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 64' ' ' ALA . 10.9 t70 -92.14 6.48 46.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.811 0.815 . . . . 2.86 109.524 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 7.5 mtm180 57.72 50.87 10.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.063 -1.426 . . . . 3.34 111.56 176.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -95.24 10.92 34.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.959 -0.564 . . . . 2.24 111.064 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -134.71 80.05 51.15 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 2.92 110.18 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 Cg_exo -77.75 153.37 29.74 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.7 2.266 . . . . 0.59 112.419 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 56' ' ' PHE . 3.2 m -78.87 -7.71 58.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.496 -0.774 . . . . 1.02 110.208 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.53 168.27 33.67 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.421 -1.072 . . . . 0.26 110.421 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.488 ' HA3' ' OE1' ' A' ' 54' ' ' GLN . . . 166.69 -175.94 41.9 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.164 -1.017 . . . . 0.4 112.743 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -168.3 156.13 7.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.099 -0.334 . . . . 0.21 110.099 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.7 Cg_exo -68.57 139.99 46.18 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.582 2.188 . . . . 0.25 112.613 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 125' ' ' MET . 38.6 t -67.38 -36.59 76.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.055 -0.975 . . . . 0.3 111.376 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.44 -22.7 64.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.282 0.563 . . . . 1.29 110.411 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HD2' ' N ' ' A' ' 78' ' ' LYS . 1.3 mptp? -91.82 -6.98 50.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 1.54 111.883 -173.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.681 HG12 ' CE2' ' A' ' 74' ' ' PHE . 14.3 mt -61.72 113.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.346 -0.612 . . . . 0.26 109.346 173.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 97' ' ' ASN . 14.1 t -79.0 -29.6 43.8 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.755 -0.378 . . . . 0.28 111.039 -174.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 137.73 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.88 111.293 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.439 HG22 ' OE1' ' A' ' 118' ' ' GLN . 7.3 p -123.3 107.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.583 -0.895 . . . . 1.36 108.583 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.708 ' HG3' HG13 ' A' ' 93' ' ' VAL . 8.6 pttt -138.27 167.75 21.19 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.737 0.779 . . . . 1.7 111.863 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -116.22 154.19 30.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.368 -0.833 . . . . 0.72 108.773 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.519 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.3 mp0 -60.85 176.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.535 0.207 . . . . 0.47 111.467 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.8 89.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.72 110.867 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -105.7 -26.29 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.234 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.519 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 6.8 p30 33.28 40.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.957 1.466 . . . . 1.14 114.957 172.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.5 m -52.97 -62.52 1.6 Allowed 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 120.545 -0.462 . . . . 0.68 110.594 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 108' ' ' PHE . 19.8 ptmt -115.22 12.39 16.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.456 0.539 . . . . 1.47 112.456 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.7 135.81 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.871 0.693 . . . . 0.39 112.871 -171.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.2 mp -118.31 153.03 34.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.383 0.673 . . . . 0.22 109.794 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.708 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -135.08 117.65 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 121.435 0.636 . . . . 0.24 111.313 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -130.47 130.01 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.18 110.123 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -119.5 145.13 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.06 -0.348 . . . . 0.2 110.06 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.1 p -122.98 147.12 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.146 0.425 . . . . 0.14 112.146 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.506 ' O ' ' HD2' ' A' ' 99' ' ' PRO . 1.4 p-10 -116.18 153.84 31.1 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.523 -0.547 . . . . 1.87 109.523 172.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.576 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 24.0 t-20 95.21 -64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.193 1.397 . . . . 0.75 111.211 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 48.7 Cg_exo -60.13 170.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 CA-C-N 121.227 1.474 . . . . 0.4 110.008 159.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.51 113.66 8.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.306 -0.627 . . . . 1.87 109.306 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -46.76 111.67 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.271 2.647 . . . . 0.57 112.531 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -133.72 145.31 49.75 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.128 -0.942 . . . . 0.33 109.128 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 87.7 m -114.49 109.44 18.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.085 0.469 . . . . 0.28 109.939 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -90.69 125.47 35.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.747 -0.661 . . . . 0.3 110.795 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.69 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.3 m120 -102.27 106.06 16.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 175.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 94' ' ' ILE . 69.3 m-85 -84.41 110.97 19.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.397 -0.594 . . . . 0.34 109.397 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.4 m -120.84 134.29 55.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 0.39 110.347 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.484 ' O ' ' HE3' ' A' ' 90' ' ' LYS . 9.7 t80 -140.71 169.01 18.45 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.645 -0.422 . . . . 0.39 110.162 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.78 -44.57 85.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.158 0.504 . . . . 1.94 109.741 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 41.2 t -69.18 121.87 83.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.262 -0.881 . . . . 1.03 111.108 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.496 ' C ' HH21 ' A' ' 114' ' ' ARG . 17.0 Cg_exo -68.81 3.72 2.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.928 2.419 . . . . 1.09 112.251 174.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.71 -38.88 0.74 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.501 -0.857 . . . . 0.63 112.827 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 8.8 tp10 -50.68 -45.78 58.37 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.268 0.556 . . . . 1.14 112.363 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.47 -42.39 74.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 2.83 110.364 -174.05 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.41 -32.42 71.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.416 -0.357 . . . . 1.59 111.455 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.9 m -58.48 -42.17 86.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.482 -0.562 . . . . 1.15 109.482 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -66.38 -43.67 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.628 -0.715 . . . . 0.26 109.691 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 6.4 tp-100 -53.35 -50.21 65.51 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.259 -0.882 . . . . 0.74 111.708 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.15 -32.87 61.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.913 -0.315 . . . . 0.47 111.606 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.525 -0.307 . . . . 0.32 111.649 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 118' ' ' GLN . 9.7 tp -63.42 -36.7 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.22 110.186 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 76.0 mt-30 -60.4 -47.47 85.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.191 0.519 . . . . 1.0 109.851 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.7 m -60.49 -41.44 94.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.268 -0.878 . . . . 1.03 110.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -67.13 -45.78 76.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 0.18 110.088 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.491 ' HG2' HG13 ' A' ' 76' ' ' VAL . 50.1 mtp -58.4 -51.79 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.26 111.238 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.79 -18.01 61.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.22 -0.446 . . . . 1.34 111.114 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.58 -51.15 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.286 -0.415 . . . . 0.47 111.063 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 14.4 ptm -93.3 -26.7 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 1.63 111.511 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.5 t -107.13 32.98 4.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.451 0.643 . . . . 1.11 109.784 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -58.21 130.47 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.422 -0.808 . . . . 3.86 110.83 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.433 -0.794 . . . . 4.4 110.472 -175.915 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 121.009 0.433 . . . . 1.81 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.99 94.61 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.388 -0.824 . . . . 0.97 112.094 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.1 -47.6 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.997 -0.372 . . . . 1.64 109.997 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.3 -48.26 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.891 -0.595 . . . . 2.69 111.533 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.1 tp -65.12 -37.45 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.59 110.435 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 20' ' ' VAL . 59.0 ttt180 -62.09 -48.99 77.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.986 -0.375 . . . . 1.88 109.986 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.5 -39.6 76.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 1.78 111.599 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.0 ptpp? -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.156 -0.617 . . . . 1.61 110.905 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -72.89 -39.92 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.99 111.145 -177.498 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 16' ' ' ARG . 31.6 m -66.74 -31.7 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.442 -0.344 . . . . 0.21 110.202 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.5 mmm -67.51 -37.75 83.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.821 0.343 . . . . 2.72 110.178 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 45.7 mt-30 -58.6 -45.26 89.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.119 172.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 124' ' ' LEU . 43.3 m-85 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.38 111.199 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 36.0 ttt180 -61.91 -40.81 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.57 110.77 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -60.4 -37.62 81.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 2.87 110.28 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.47 -13.64 57.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.433 -0.803 . . . . 0.28 111.488 -176.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.36 -17.01 17.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.097 -0.501 . . . . 0.21 110.701 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.599 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 86.7 m -80.89 106.15 12.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.175 0.512 . . . . 0.2 110.382 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.599 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.3 mptp? -148.89 169.74 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.79 110.24 -171.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.58 126.91 62.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.177 -1.046 . . . . 1.03 108.177 164.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.44 155.65 7.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.02 -0.363 . . . . 0.26 110.02 -174.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -106.2 120.66 42.42 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.887 0.375 . . . . 0.67 110.247 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.2 mt -88.89 138.25 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.21 111.095 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -140.13 106.55 5.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.84 109.728 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 37' ' ' LEU . 5.2 t -168.98 -168.15 0.82 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.835 -0.346 . . . . 0.34 111.073 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -57.55 -24.76 57.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.25 0.548 . . . . 3.02 110.527 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB3' HG23 ' A' ' 35' ' ' THR . 61.4 tp -64.17 -59.07 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.276 -0.875 . . . . 1.0 109.829 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 175.15 -171.04 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.312 -0.625 . . . . 0.82 109.312 179.07 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 8.5 p -141.06 99.03 3.5 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.167 -0.309 . . . . 0.34 110.167 173.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.1 mt-10 -156.73 167.78 29.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.813 -0.63 . . . . 2.08 109.316 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 10.3 m -82.74 127.19 33.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.837 0.351 . . . . 0.32 110.609 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.5 m -125.76 158.83 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.326 -0.397 . . . . 0.23 110.413 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 27.9 ttpp -101.56 120.29 40.09 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.264 -0.643 . . . . 1.61 109.264 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.41 152.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 0.35 110.103 -173.748 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.1 t -177.01 -172.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.215 -0.661 . . . . 0.21 109.215 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -137.56 168.04 20.46 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.134 -0.321 . . . . 0.19 110.134 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 p -71.13 178.43 3.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.682 0.253 . . . . 1.15 111.682 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -69.34 -34.03 74.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.515 0.197 . . . . 2.1 111.478 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.86 -0.12 57.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.447 -0.342 . . . . 0.71 110.48 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 70.21 9.56 64.12 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 115.868 -0.605 . . . . 0.43 112.337 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.15 -29.82 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 1.99 110.998 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -121.36 145.74 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 1.49 111.47 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 47.6 t -104.2 120.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.143 -1.058 . . . . 0.34 108.143 168.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.496 ' HG3' HG23 ' A' ' 45' ' ' THR . 10.3 pt20 -126.31 160.74 29.52 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.943 0.401 . . . . 2.12 110.896 -174.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 16.3 p90 -146.85 159.83 43.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.377 0.608 . . . . 0.29 111.238 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.6 m-85 -119.27 102.6 8.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.098 -0.956 . . . . 0.53 109.015 176.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 mtmm -73.79 132.61 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.004 -0.543 . . . . 1.2 110.537 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 -101.2 0.79 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.91 -0.586 . . . . 1.35 111.725 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -144.02 50.52 1.33 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.733 -0.84 . . . . 4.98 108.733 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.28 135.71 54.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.907 -1.042 . . . . 3.89 111.136 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 p -66.19 137.02 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.455 -0.793 . . . . 2.95 112.319 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -77.33 117.16 18.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.641 -0.709 . . . . 1.69 111.178 175.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -52.71 127.98 35.53 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.743 -0.662 . . . . 1.99 114.028 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.78 6.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.839 0.681 . . . . 1.76 112.839 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 70.3 -42.96 0.53 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.508 0.723 . . . . 3.33 112.313 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.16 8.33 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.844 0.83 . . . . 2.86 110.697 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.512 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 10.0 mtt180 60.3 58.8 2.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.78 -1.1 . . . . 3.34 110.225 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -83.85 -15.25 48.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.69 0.757 . . . . 2.24 109.238 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.51 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 27.0 tptp -120.65 94.29 48.8 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.718 -1.128 . . . . 2.92 110.551 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.486 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 Cg_exo -81.31 166.27 18.3 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.225 2.616 . . . . 0.59 111.503 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.411 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 23.0 t -92.59 4.79 52.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.524 0.678 . . . . 1.02 109.724 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.82 165.48 19.97 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.286 -1.126 . . . . 0.26 110.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 53' ' ' VAL . . . 170.46 155.6 10.5 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.917 -1.135 . . . . 0.4 113.051 -178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -145.73 153.86 51.14 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.741 -0.466 . . . . 0.21 109.741 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 6.5 Cg_exo -71.98 139.44 32.98 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.452 2.102 . . . . 0.25 112.287 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 49.9 t -65.16 -36.91 78.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.64 -1.164 . . . . 0.3 111.87 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.28 -17.25 60.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.182 0.515 . . . . 1.29 110.698 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.3 mptp? -91.52 -7.62 49.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.194 -0.457 . . . . 1.54 111.496 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 17.0 mt -64.95 124.58 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.461 -0.57 . . . . 0.26 109.461 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.46 ' H ' ' HA ' ' A' ' 96' ' ' VAL . 11.4 t -84.39 -39.03 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.603 -0.439 . . . . 0.28 111.023 -174.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -160.24 136.3 8.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.963 0.411 . . . . 0.88 111.495 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.663 HG12 HE22 ' A' ' 118' ' ' GLN . 52.3 t -118.96 106.5 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.842 -0.617 . . . . 1.36 109.426 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -124.61 167.54 14.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.496 0.665 . . . . 1.7 111.698 -175.539 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.1 p -108.29 154.16 22.2 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.741 -0.837 . . . . 0.72 108.741 168.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.504 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.1 mp0 -61.84 172.65 1.25 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.282 0.087 . . . . 0.47 111.215 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.83 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 0.72 111.081 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.49 -25.06 10.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 1.59 110.247 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 8.4 p30 33.03 44.53 0.05 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.714 1.376 . . . . 1.14 114.714 173.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.3 m -51.17 -58.0 7.29 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.323 -0.551 . . . . 0.68 110.194 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.519 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 5.0 ptpp? -116.91 4.62 12.88 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.783 1.031 . . . . 1.47 113.783 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.7 t -110.25 135.47 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.701 1.0 . . . . 0.39 113.701 -168.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.8 mp -112.61 152.44 28.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.649 -0.705 . . . . 0.22 110.009 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.7 p -132.18 109.84 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.741 0.781 . . . . 0.24 111.614 178.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.467 HG13 HG13 ' A' ' 82' ' ' VAL . 2.1 mp -121.04 132.49 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.18 109.822 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -124.82 144.21 50.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 0.2 110.589 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.46 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.3 p -120.14 144.96 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.14 110.86 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.402 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 49.8 t-20 -131.77 97.05 4.09 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.827 0.346 . . . . 1.87 111.112 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.643 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 28.8 t-20 165.34 -56.42 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.646 0 O-C-N 124.736 1.273 . . . . 0.75 108.475 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.9 173.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.221 1.948 . . . . 0.4 110.575 157.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.5 pt20 -59.24 126.57 82.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.373 -0.603 . . . . 1.87 109.373 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 52.9 Cg_exo -51.65 111.78 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.242 2.628 . . . . 0.57 112.866 -171.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -140.36 145.93 37.77 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.457 -0.792 . . . . 0.33 109.922 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.2 m -121.37 108.5 13.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.201 -0.666 . . . . 0.28 109.201 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.35 122.12 32.27 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.683 -0.69 . . . . 0.3 110.535 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 15.0 m120 -104.98 103.79 13.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.563 -0.744 . . . . 0.46 109.721 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.771 -1.104 . . . . 0.34 109.616 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.462 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 23.3 m -119.97 137.21 54.2 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.945 -0.571 . . . . 0.39 110.426 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -140.19 167.64 21.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.054 -0.721 . . . . 0.39 109.054 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 28.8 tttt -65.89 -45.88 80.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.044 0.449 . . . . 1.94 110.22 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.571 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 37.6 t -71.91 112.28 13.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 1.03 111.683 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 109' ' ' LYS . 27.8 Cg_exo -62.49 4.84 0.3 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.596 2.864 . . . . 1.09 112.861 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.63 -39.65 1.57 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.702 -0.761 . . . . 0.63 112.073 172.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.26 -52.04 64.7 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.544 0.572 . . . . 1.14 112.544 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.583 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.02 -45.33 70.77 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.821 -0.352 . . . . 2.83 111.221 -173.084 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.32 -33.56 74.91 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.753 0.279 . . . . 1.59 111.753 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -39.97 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.941 -0.392 . . . . 1.15 109.941 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.57 -41.5 92.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.401 -0.592 . . . . 0.26 109.401 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.663 HE22 HG12 ' A' ' 82' ' ' VAL . 49.1 tp60 -53.34 -52.45 59.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.855 -1.066 . . . . 0.74 112.052 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.53 -31.56 62.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.021 0.439 . . . . 0.47 110.975 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.521 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 47.2 mm-40 -69.46 -45.56 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 0.32 111.788 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.7 -44.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 0.22 110.752 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 7.7 pt20 -70.04 -27.98 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.902 -176.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.8 m -68.33 -42.04 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 1.03 110.212 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -63.66 -43.15 97.58 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.554 -0.536 . . . . 0.18 109.554 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 56.4 mtp -55.67 -52.91 62.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.26 110.972 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -65.5 -39.24 91.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.651 -0.704 . . . . 1.34 111.014 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.86 -39.45 62.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.988 0.366 . . . . 0.47 111.988 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.5 ptp -105.99 -23.87 12.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.043 0.386 . . . . 1.63 112.043 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.4 t -94.56 -10.19 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.184 -0.206 . . . . 1.11 111.52 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 43.8 mtm -69.18 93.38 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.134 0.492 . . . . 3.86 110.282 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 37.4 pttt . . . . . 0 C--N 1.316 -0.883 0 CA-C-N 115.813 -0.631 . . . . 4.4 110.413 -178.492 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.433 ' O ' HG22 ' A' ' 15' ' ' ILE . 19.2 m . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 109.993 -0.373 . . . . 1.81 109.993 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.45 -56.86 10.96 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.235 0.828 . . . . 0.97 113.235 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -69.56 -40.78 76.59 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.82 0.343 . . . . 1.64 111.607 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.5 -45.95 77.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 2.69 111.285 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.9 tp -67.06 -37.52 79.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.59 110.346 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.6 ttm180 -59.86 -43.89 94.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.285 -0.416 . . . . 1.88 111.173 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.6 mtm -58.47 -40.02 81.58 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.961 -0.296 . . . . 1.78 111.406 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 21' ' ' MET . 18.6 ptpt -77.33 -34.92 55.21 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.489 -0.484 . . . . 1.61 110.796 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.659 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 5.9 tmtp? -74.47 -32.31 62.54 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.592 0.357 . . . . 0.99 111.368 -172.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.8 m -63.87 -29.62 47.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.401 -0.592 . . . . 0.21 109.401 173.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.708 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 65.6 mtt -57.02 -41.59 78.86 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.415 0.447 . . . . 2.72 110.709 174.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.659 ' OE1' ' HA ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -56.09 -50.68 70.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.256 0.551 . . . . 1.05 110.916 171.559 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' HD23 ' A' ' 124' ' ' LEU . 57.5 m-85 -68.8 -28.82 67.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.221 -0.9 . . . . 0.38 111.478 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 31.7 ttt180 -65.84 -36.99 85.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 0.57 110.77 -175.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.17 -31.37 69.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 2.87 110.234 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.71 -17.86 46.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.766 -0.652 . . . . 0.28 110.924 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.73 -14.55 19.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 0.21 111.109 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.623 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.4 m -85.23 104.7 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 0.2 109.967 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.3 mptm? -147.59 167.02 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.504 -0.771 . . . . 0.79 109.73 -175.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 127.87 55.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.542 -0.91 . . . . 1.03 108.542 168.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.84 149.51 14.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.895 0.378 . . . . 0.26 110.211 -174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -101.5 122.05 43.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.946 0.403 . . . . 0.67 110.421 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 20.8 mt -87.82 140.9 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.21 111.056 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 35.0 mtmt -143.43 106.21 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.84 109.919 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.6 t -169.19 -165.84 0.57 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.283 -0.266 . . . . 0.34 110.283 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.74 -19.56 65.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.483 0.659 . . . . 3.02 109.888 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 34.1 tp -63.96 -65.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.329 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.0 p90 -179.24 -174.88 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.589 -0.732 . . . . 0.82 109.774 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.7 p -129.46 99.89 5.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.269 -0.641 . . . . 0.34 109.269 170.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.2 159.08 43.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.59 . . . . 2.08 109.654 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 25.4 m -87.5 123.38 32.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.908 0.385 . . . . 0.32 110.003 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.86 159.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.938 -0.574 . . . . 0.23 110.006 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -103.82 122.37 44.99 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.955 -0.758 . . . . 1.61 108.955 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.53 155.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.738 -0.467 . . . . 0.35 109.738 -174.504 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -174.05 -179.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.273 -0.64 . . . . 0.21 109.273 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 17.3 p -124.36 170.91 10.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.463 -0.569 . . . . 0.19 109.463 173.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -71.86 -178.8 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.017 -0.273 . . . . 1.15 110.979 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.07 -28.51 65.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 2.1 110.347 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' C ' HG21 ' A' ' 20' ' ' VAL . 15.1 m-20 -94.09 0.17 55.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.71 110.228 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 74.53 0.15 57.46 Favored Glycine 0 C--O 1.222 -0.608 0 C-N-CA 121.052 -0.594 . . . . 0.43 112.67 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.38 -16.83 58.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.677 0.621 . . . . 1.99 112.677 -170.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -125.62 144.73 50.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.538 0.209 . . . . 1.49 110.905 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 76' ' ' VAL . 61.6 t -106.13 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.517 -0.92 . . . . 0.34 108.517 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -121.75 160.92 23.55 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.75 0.31 . . . . 2.12 110.26 -175.236 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p90 -140.52 141.72 35.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.747 0.784 . . . . 0.29 111.845 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HB3' ' O ' ' A' ' 60' ' ' SER . 67.7 m-85 -102.15 101.14 11.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.759 -1.11 . . . . 0.53 108.554 175.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 59' ' ' LYS . 85.2 mttt -63.87 163.47 11.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.47 -0.567 . . . . 1.2 109.47 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.95 32.96 0.63 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 121.029 -0.605 . . . . 1.35 113.477 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 57' ' ' LYS . 35.9 mtmt -136.78 6.62 2.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.938 -0.764 . . . . 4.98 108.938 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 56' ' ' PHE . 66.1 m -156.24 116.66 3.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.046 -0.979 . . . . 3.89 109.382 177.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.4 m -88.48 -50.2 6.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.694 0.283 . . . . 2.95 111.382 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.9 132.55 2.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 1.69 111.086 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.439 ' N ' ' HA ' ' A' ' 67' ' ' ARG . . . -74.18 112.17 3.67 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.936 -0.575 . . . . 1.99 112.95 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.38 48.72 21.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.317 0.647 . . . . 1.76 112.047 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 71.71 -49.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.679 0.792 . . . . 3.33 112.399 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.463 ' HB2' ' HD2' ' A' ' 68' ' ' LYS . 26.7 m-20 -81.1 11.64 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.233 0.54 . . . . 2.86 111.594 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HA ' ' N ' ' A' ' 63' ' ' GLY . 11.9 mtt180 55.61 58.71 4.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.99 -1.004 . . . . 3.34 112.578 175.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HD2' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -102.52 22.0 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.41 -0.516 . . . . 2.24 110.738 177.094 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 16.1 tppt? -134.12 76.75 63.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.915 0.388 . . . . 2.92 111.522 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HG2' ' OE1' ' A' ' 54' ' ' GLN . 7.3 Cg_exo -73.5 144.55 36.32 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 122.181 1.921 . . . . 0.59 110.074 167.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -92.35 9.7 32.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.383 0.611 . . . . 1.02 110.141 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.04 167.22 30.2 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.397 -0.82 . . . . 0.26 111.087 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.55 170.36 32.25 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.686 -0.768 . . . . 0.4 112.236 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.712 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -155.9 155.24 29.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.114 -0.328 . . . . 0.21 110.114 177.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.535 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 13.6 Cg_exo -68.29 139.41 45.72 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.796 2.331 . . . . 0.25 112.882 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 50' ' ' GLY . 47.4 t -64.91 -37.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.988 -1.005 . . . . 0.3 111.592 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.75 -20.87 64.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 1.29 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 2.6 mptp? -94.15 -7.15 43.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 1.54 111.92 -174.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.712 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.2 mt -64.91 116.23 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.687 -0.486 . . . . 0.26 109.687 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 97' ' ' ASN . 11.6 t -79.88 -36.15 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.779 -0.368 . . . . 0.28 111.206 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.0 m -157.77 136.04 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.016 0.436 . . . . 0.88 111.502 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.7 t -121.9 107.43 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.669 -0.863 . . . . 1.36 108.669 173.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -130.92 165.57 22.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.669 0.747 . . . . 1.7 110.738 -177.224 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 p -109.01 153.97 22.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.3 -0.864 . . . . 0.72 108.879 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.6 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.4 mp0 -62.13 179.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.799 0.296 . . . . 0.47 111.799 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.22 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.852 0.358 . . . . 0.72 111.351 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.35 -22.01 8.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.059 -0.719 . . . . 1.59 109.059 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.6 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.0 p30 41.17 48.4 3.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.065 -0.971 . . . . 1.14 113.191 172.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -47.41 -67.47 0.27 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.68 110.128 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.631 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 5.1 ptpp? -115.15 6.75 15.19 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.128 0.418 . . . . 1.47 112.128 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.1 t -107.91 124.16 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 113.298 0.851 . . . . 0.39 113.298 -166.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 9.0 mp -111.6 152.11 27.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 0.22 110.107 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.48 ' HB ' HE22 ' A' ' 85' ' ' GLN . 1.9 p -133.2 110.87 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.543 0.687 . . . . 0.24 111.536 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -124.7 131.63 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.654 . . . . 0.18 110.587 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.4 m -124.03 146.19 48.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.635 0.255 . . . . 0.2 110.77 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 p -120.58 146.48 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 111.778 0.288 . . . . 0.14 111.778 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.527 ' HB3' ' HB ' ' A' ' 80' ' ' THR . 1.6 p-10 -117.58 150.26 39.29 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.731 -0.47 . . . . 1.87 109.731 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 25.7 t-20 94.18 -65.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.98 1.312 . . . . 0.75 111.381 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 52.4 Cg_exo -58.73 171.65 1.92 Allowed 'Trans proline' 0 C--N 1.366 1.456 0 CA-C-N 121.337 1.513 . . . . 0.4 110.755 163.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.43 116.9 19.95 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.63 -0.507 . . . . 1.87 109.63 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.74 120.25 5.71 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.508 2.805 . . . . 0.57 113.015 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.7 m -144.68 141.96 29.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.882 -1.054 . . . . 0.33 109.658 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 60.4 m -119.74 108.85 14.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.331 0.586 . . . . 0.28 109.995 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -91.61 126.2 36.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.758 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.643 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m120 -102.0 106.11 16.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.212 -0.662 . . . . 0.46 109.212 175.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 94' ' ' ILE . 58.9 m-85 -84.74 111.53 19.68 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 0.34 109.343 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.525 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 35.8 m -120.31 137.43 54.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.778 -0.646 . . . . 0.39 110.719 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -140.81 174.03 10.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.747 -0.464 . . . . 0.39 109.747 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -65.94 -53.19 42.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.988 0.899 . . . . 1.94 109.075 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 15.9 m -75.27 110.1 9.4 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 113.449 -1.705 . . . . 1.03 111.191 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.2 5.94 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.554 2.836 . . . . 1.09 113.066 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.89 -32.09 3.18 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.834 -0.698 . . . . 0.63 111.646 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 10.4 tp10 -60.58 -51.76 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.28 0.474 . . . . 1.14 112.28 -171.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.635 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -60.01 -40.98 91.1 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.892 0.377 . . . . 2.83 110.711 -177.294 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.592 ' H ' ' NH1' ' A' ' 114' ' ' ARG . 37.2 mt-10 -68.52 -35.05 76.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.467 -0.333 . . . . 1.59 111.808 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -34.42 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.705 -0.48 . . . . 1.15 109.705 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -72.78 -47.63 45.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.26 109.551 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.4 tp-100 -50.98 -51.11 56.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.676 -1.147 . . . . 0.74 112.153 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.59 -34.19 67.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.949 0.404 . . . . 0.47 111.326 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.491 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 45.8 mm-40 -73.72 -40.36 63.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.32 112.183 -174.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.13 -38.17 81.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.22 110.568 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.14 -41.34 99.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 1.0 110.338 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.7 m -61.99 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 1.03 110.621 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -65.43 -46.36 80.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.47 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 46.4 mtp -56.32 -52.51 64.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.26 111.291 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 130' ' ' MET . 33.6 mmtp -73.4 -17.58 61.25 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.847 -0.615 . . . . 1.34 111.658 -174.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -71.0 -46.4 62.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.989 0.423 . . . . 0.47 111.002 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.3 ptp -98.2 -36.73 9.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.312 -0.404 . . . . 1.63 111.549 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -91.02 32.2 1.03 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.571 0.7 . . . . 1.11 109.891 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.661 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 24.6 ptt? -81.55 126.87 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.884 -0.598 . . . . 3.86 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.406 -0.807 . . . . 4.4 109.563 177.832 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 17.0 t . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.606 -0.516 . . . . 1.81 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.19 90.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.701 -0.681 . . . . 0.97 111.443 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 17' ' ' MET . 75.4 m -67.57 -45.46 75.53 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.893 -0.594 . . . . 1.64 111.115 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 35.6 t70 -68.16 -46.02 71.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 2.69 111.256 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.39 -35.61 72.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.59 110.226 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.8 ttm180 -60.23 -51.25 70.37 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 110.337 -0.246 . . . . 1.88 110.337 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 13' ' ' SER . 55.1 mtt -56.07 -35.7 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.833 0.825 . . . . 1.78 110.028 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.65 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 22.0 tptt -72.64 -38.72 67.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.416 -1.266 . . . . 1.61 111.368 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.695 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.7 tmtp? -76.6 -41.05 47.56 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.071 -0.393 . . . . 0.99 111.216 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 16' ' ' ARG . 21.2 m -66.58 -30.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.817 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptm -67.63 -31.61 71.74 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.459 . . . . 2.72 109.804 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.65 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 8.6 mt-30 -66.05 -49.67 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 1.05 108.978 174.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.695 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 37.4 m-85 -64.2 -36.33 83.72 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.38 111.043 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 38.1 ttt180 -57.31 -44.29 84.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.57 110.082 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.17 -38.14 89.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 2.87 110.756 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' O ' ' HE2' ' A' ' 29' ' ' LYS . . . -77.18 -16.4 59.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.28 111.395 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.17 -18.28 18.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.07 -0.514 . . . . 0.21 110.773 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.9 m -75.95 104.85 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.47 . . . . 0.2 110.066 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.4 mptp? -146.26 165.4 29.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.449 -0.796 . . . . 0.79 109.568 -174.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -103.37 129.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 107.994 -1.113 . . . . 1.03 107.994 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' CG2' HH22 ' A' ' 114' ' ' ARG . 2.2 t -150.24 148.91 14.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.279 -0.419 . . . . 0.26 110.96 -168.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.81 117.1 33.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.862 -0.422 . . . . 0.67 109.862 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 39' ' ' SER . 19.7 mt -85.99 142.1 29.02 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.92 -0.582 . . . . 0.21 110.676 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.8 mtmt -142.48 105.43 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.84 110.064 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.6 t -169.01 -173.81 1.89 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.29 -0.414 . . . . 0.34 109.938 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -66.63 -9.76 39.05 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.128 0.49 . . . . 3.02 110.938 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HB3' HG23 ' A' ' 35' ' ' THR . 24.6 tp -65.73 -60.79 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 169.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 13.0 p90 178.64 178.19 0.43 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.023 -0.99 . . . . 0.82 109.726 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.9 p -126.57 101.33 6.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.315 -0.624 . . . . 0.34 109.315 170.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -155.18 163.25 40.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.934 -0.575 . . . . 2.08 110.511 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.0 m -87.84 122.11 31.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.945 -0.57 . . . . 0.32 109.816 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.5 174.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.23 109.697 -175.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -120.26 126.17 49.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.899 -0.778 . . . . 1.61 108.899 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.64 158.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 110.359 -0.237 . . . . 0.35 110.359 -172.393 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 54' ' ' GLN . 14.9 t 177.21 -171.43 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.571 -0.9 . . . . 0.21 108.571 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 28.4 p -136.04 167.69 20.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.643 -0.503 . . . . 0.19 109.643 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -71.34 171.69 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.443 -0.206 . . . . 1.15 110.443 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -63.44 -36.7 84.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.41 0.522 . . . . 2.1 112.41 -172.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.45 5.68 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.634 0.254 . . . . 0.71 111.369 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.91 70.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.43 112.595 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.63 -33.61 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.391 . . . . 1.99 110.91 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -120.99 148.29 44.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 1.49 111.395 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 76' ' ' VAL . 48.4 t -101.53 119.97 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.85 -1.167 . . . . 0.34 107.85 166.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 45' ' ' THR . 13.0 pt20 -126.62 156.11 41.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.667 0.27 . . . . 2.12 110.552 -171.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -141.92 149.03 39.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.622 0.725 . . . . 0.29 112.038 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.489 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 58.7 m-85 -108.41 102.54 11.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.845 -1.07 . . . . 0.53 109.241 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' HE2' ' OG ' ' A' ' 71' ' ' SER . 46.6 mtmt -68.45 124.55 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 1.2 111.126 -175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.56 -100.96 0.21 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.922 -0.581 . . . . 1.35 113.434 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.92 31.87 6.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.782 0.325 . . . . 4.98 110.772 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 56' ' ' PHE . 70.5 m -62.65 136.92 58.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.225 -0.443 . . . . 3.89 110.189 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -65.76 130.19 42.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.433 . . . . 2.95 110.875 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -84.41 66.58 9.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.028 -0.533 . . . . 1.69 110.832 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.61 -146.41 2.5 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.153 -0.93 . . . . 1.99 113.719 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -98.02 58.75 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.162 -0.31 . . . . 1.76 110.162 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 72.62 -31.24 0.22 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.655 -0.702 . . . . 3.33 110.592 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 64' ' ' ALA . 3.6 m-20 -83.1 -11.38 58.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.715 0.769 . . . . 2.86 110.469 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.565 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 64.2 mtt180 59.63 52.29 5.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.058 -1.428 . . . . 3.34 113.286 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -98.08 29.19 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.429 -0.508 . . . . 2.24 110.486 175.461 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -134.64 73.55 67.3 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.848 0.356 . . . . 2.92 110.472 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' CB ' ' HB2' ' A' ' 54' ' ' GLN . 60.2 Cg_endo -84.59 167.18 11.75 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.613 2.209 . . . . 0.59 112.217 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 57' ' ' LYS . 4.8 t -109.34 23.02 15.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.82 0.819 . . . . 1.02 109.399 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.6 154.36 8.08 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.946 -1.024 . . . . 0.26 110.612 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.86 165.24 29.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.247 -0.978 . . . . 0.4 112.995 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -151.7 153.4 31.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.057 -0.349 . . . . 0.21 110.057 178.581 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.29 136.73 38.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.865 2.377 . . . . 0.25 112.565 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 53' ' ' VAL . 84.3 t -65.03 -38.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.049 -0.978 . . . . 0.3 111.668 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.03 -13.06 62.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.396 0.617 . . . . 1.29 110.665 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -100.08 -5.99 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 1.54 111.72 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 13.8 mt -64.86 125.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.647 -0.501 . . . . 0.26 109.647 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.7 t -87.09 -34.97 18.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.698 -0.401 . . . . 0.28 110.933 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.49 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 73.8 m -160.22 131.09 5.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.887 0.375 . . . . 0.88 111.711 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.511 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.1 t -111.08 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.047 -1.094 . . . . 1.36 108.047 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -132.32 166.82 21.06 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.482 -0.781 . . . . 1.7 110.344 -171.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -114.73 153.99 29.3 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.504 -0.554 . . . . 0.72 109.504 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.578 HE22 ' HB ' ' A' ' 93' ' ' VAL . 1.7 mp0 -61.72 -174.39 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.279 0.474 . . . . 0.47 112.279 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.24 70.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.068 -0.253 . . . . 0.72 110.934 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.03 -25.64 11.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.638 -0.505 . . . . 1.59 109.638 176.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.577 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.9 p-10 32.75 43.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.114 1.524 . . . . 1.14 115.114 170.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.1 m -56.98 -65.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.176 -0.61 . . . . 0.68 109.557 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 16.0 ptpt -113.76 12.5 18.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.316 -0.402 . . . . 1.47 111.211 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.08 105.29 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.39 112.231 -170.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 114' ' ' ARG . 5.0 mp -98.38 151.29 20.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.909 -0.587 . . . . 0.22 110.493 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.591 HG23 ' CG2' ' A' ' 103' ' ' THR . 1.8 p -133.02 109.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.779 0.799 . . . . 0.24 110.802 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.1 mp -120.04 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.572 -0.74 . . . . 0.18 110.201 -177.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 143.52 46.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.848 0.356 . . . . 0.2 110.249 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.8 p -118.67 142.64 32.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.243 -0.435 . . . . 0.14 110.631 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.481 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 19.4 t-20 -131.28 95.78 3.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.178 0.513 . . . . 1.87 111.276 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.628 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.4 t30 168.22 -54.46 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.045 -1.434 . . . . 0.75 107.804 172.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 31.9 Cg_exo -60.79 172.95 2.49 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.837 1.692 . . . . 0.4 109.872 153.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 10.8 pt20 -60.5 130.04 89.76 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.003 -0.74 . . . . 1.87 109.003 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 51.8 Cg_exo -53.8 111.68 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.634 2.223 . . . . 0.57 112.417 -173.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 m -137.37 139.49 40.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.257 -0.883 . . . . 0.33 109.643 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.591 ' CG2' HG23 ' A' ' 93' ' ' VAL . 65.7 m -115.76 109.33 17.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.285 0.564 . . . . 0.28 110.523 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -90.33 122.54 33.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.656 -0.702 . . . . 0.3 110.469 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m120 -102.99 105.27 15.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.621 -0.511 . . . . 0.46 109.621 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -84.58 109.68 18.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.498 -0.556 . . . . 0.34 109.498 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.551 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 8.6 m -121.02 136.01 55.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.831 -0.622 . . . . 0.39 111.099 -175.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 114' ' ' ARG . 8.6 t80 -141.73 172.02 13.26 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 0.39 109.86 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 5.7 tmmm? -66.17 -28.82 69.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.411 0.624 . . . . 1.94 109.59 175.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 34.0 t -96.49 113.12 62.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 1.03 110.067 -174.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 33.0 Cg_exo -61.7 -35.87 77.7 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.559 2.173 . . . . 1.09 111.453 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.31 76.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.63 111.843 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 5.7 tp10 -63.14 -51.36 66.76 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.404 0.621 . . . . 1.14 110.008 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.655 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -70.83 -37.03 73.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.379 -0.828 . . . . 2.83 111.563 -179.328 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 54.1 mt-10 -59.25 -43.99 92.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.731 -0.387 . . . . 1.59 110.73 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.2 m -67.07 -35.2 79.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.958 -0.564 . . . . 1.15 110.791 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.25 -46.23 71.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.26 109.86 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.519 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.2 tp-100 -53.35 -47.09 69.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.908 -1.042 . . . . 0.74 111.913 -178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.41 -37.77 60.27 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.765 0.283 . . . . 0.47 111.765 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.434 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 52.0 mm-40 -63.09 -47.57 82.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.778 0.323 . . . . 0.32 111.863 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.07 -38.4 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 0.22 111.136 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.401 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.6 mt-30 -65.21 -38.33 90.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.668 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 m -65.97 -37.24 85.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 1.03 110.621 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -66.57 -43.1 85.92 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.619 -0.511 . . . . 0.18 109.619 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 82' ' ' VAL . 44.7 mtp -59.78 -50.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.26 111.013 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 130' ' ' MET . 47.5 mmtm -69.23 -18.24 63.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.934 -0.575 . . . . 1.34 111.2 -177.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 72.4 t80 -71.66 -52.23 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.025 -0.534 . . . . 0.47 111.531 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -100.93 -22.38 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 1.63 111.914 -172.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.4 t -102.31 25.69 8.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.562 0.696 . . . . 1.11 109.352 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.434 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 13.2 ptp -62.76 135.18 57.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.261 -0.881 . . . . 3.86 110.895 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.424 -0.798 . . . . 4.4 109.664 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 11.7 t . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.792 0.33 . . . . 1.81 110.115 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.0 70.85 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.831 -0.622 . . . . 0.97 111.743 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -78.17 -43.14 29.47 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.13 -0.486 . . . . 1.64 110.858 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 4.5 m-20 -72.68 -36.56 67.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 2.69 111.482 -176.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.0 tp -62.81 -37.86 80.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.59 109.827 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.7 ttt180 -63.73 -45.71 88.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.983 -0.553 . . . . 1.88 110.407 177.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -56.75 -41.79 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.405 -0.361 . . . . 1.78 111.26 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.7 ptpt -74.53 -34.7 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.448 -0.501 . . . . 1.61 110.2 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 5.7 tmtp? -74.27 -38.5 63.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.99 111.392 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.4 m -66.51 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 110.286 -0.264 . . . . 0.21 110.286 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.6 mmm -64.88 -31.92 73.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.761 0.315 . . . . 2.72 110.541 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 11.1 mt-30 -66.62 -46.65 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.34 -0.615 . . . . 1.05 109.34 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CD1' HD23 ' A' ' 124' ' ' LEU . 54.0 m-85 -65.83 -36.55 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.405 -0.816 . . . . 0.38 110.489 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 39.6 ttt180 -57.52 -40.24 78.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.098 -0.956 . . . . 0.57 111.274 -177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -65.75 -35.99 82.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.333 -0.394 . . . . 2.87 111.174 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -79.53 -13.75 59.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.284 0.564 . . . . 0.28 110.744 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.28 -12.66 20.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.342 -0.844 . . . . 0.21 110.994 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.707 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 78.1 m -95.36 103.95 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.2 111.404 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.8 173.99 15.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.294 -0.866 . . . . 0.79 112.991 -176.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -98.07 124.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.064 -0.971 . . . . 1.03 108.715 171.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.2 t -149.05 148.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.77 -0.456 . . . . 0.26 109.77 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.4 tmtp? -102.6 118.49 36.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.105 0.478 . . . . 0.67 110.571 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 39' ' ' SER . 25.6 mt -85.72 141.96 29.34 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.778 -0.647 . . . . 0.21 110.677 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.5 mtmt -143.69 106.29 4.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.615 -0.721 . . . . 0.84 109.976 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.4 t -168.77 -166.89 0.7 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.786 -0.45 . . . . 0.34 109.786 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -68.47 -13.01 62.01 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.571 0.7 . . . . 3.02 110.102 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 35' ' ' THR . 19.3 tp -64.92 -59.93 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.007 -0.997 . . . . 1.0 108.913 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.2 p90 174.81 -178.49 0.1 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.052 -0.976 . . . . 0.82 109.207 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 24.8 p -130.63 100.49 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.425 -0.583 . . . . 0.34 109.425 171.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 10.3 mm-40 -155.22 159.24 39.92 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.961 -0.563 . . . . 2.08 109.748 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 87.3 m -83.02 123.74 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.994 0.426 . . . . 0.32 109.919 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.66 156.45 35.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.842 -0.617 . . . . 0.23 109.823 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 37.2 ttpt -101.06 123.47 45.29 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.672 -0.492 . . . . 1.61 109.672 173.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.0 158.29 4.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.762 -174.422 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -176.36 -172.02 0.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.698 -0.853 . . . . 0.21 108.698 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -142.83 167.73 21.39 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.975 -0.29 . . . . 0.19 110.564 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.544 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 14.1 t -58.1 158.49 6.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 1.15 111.382 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -65.33 -20.94 66.63 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.66 -0.7 . . . . 2.1 111.02 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -108.23 9.01 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.71 110.538 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.17 23.94 68.41 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.43 112.727 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.77 -26.84 29.31 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.651 -0.323 . . . . 1.99 111.666 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' H ' ' HB3' ' A' ' 47' ' ' SER . 41.9 mt-10 -132.87 156.02 47.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.436 -0.347 . . . . 1.49 111.393 -175.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.8 t -111.43 122.95 66.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.266 -1.013 . . . . 0.34 108.266 168.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 2.6 mm-40 -118.39 161.52 19.82 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.348 -0.242 . . . . 2.12 110.348 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 11.4 p90 -148.34 149.36 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.551 0.691 . . . . 0.29 111.711 172.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 68.8 m-85 -114.77 114.13 25.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.008 -0.996 . . . . 0.53 109.205 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -82.74 130.36 35.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.2 111.46 -171.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.96 -119.94 5.46 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.041 -0.599 . . . . 1.35 112.886 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -82.05 -72.59 0.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.887 0.375 . . . . 4.98 110.978 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.9 t -165.7 124.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.063 -0.517 . . . . 3.89 110.086 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -118.69 12.35 13.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.125 0.488 . . . . 2.95 109.96 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -57.53 124.54 19.36 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.446 -0.797 . . . . 1.69 112.429 -174.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.09 116.13 8.9 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.18 -0.918 . . . . 1.99 113.015 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.54 35.8 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 124.279 0.635 . . . . 1.76 112.21 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 71.44 -39.26 0.44 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.681 0.793 . . . . 3.33 112.304 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -76.35 1.24 16.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.406 0.622 . . . . 2.86 110.955 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.472 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.9 mtm180 68.31 60.98 0.39 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.755 -1.111 . . . . 3.34 111.869 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.21 18.88 20.59 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.122 0.487 . . . . 2.24 110.485 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -149.91 90.45 4.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 2.92 109.957 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 9.6 Cg_exo -73.29 157.48 49.86 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.466 2.11 . . . . 0.59 112.059 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -93.98 3.27 55.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.567 0.699 . . . . 1.02 109.24 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.14 160.72 22.86 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 110.163 -1.175 . . . . 0.26 110.163 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.19 168.36 27.22 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.235 -0.983 . . . . 0.4 112.732 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -158.37 154.58 23.92 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.89 -0.411 . . . . 0.21 109.89 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.492 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.1 Cg_exo -68.09 138.66 44.33 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.693 2.262 . . . . 0.25 112.315 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.484 HG22 HG23 ' A' ' 53' ' ' VAL . 70.4 t -64.79 -37.52 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.022 -0.99 . . . . 0.3 111.034 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.84 -22.83 64.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.767 -0.651 . . . . 1.29 110.714 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -87.69 -8.43 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 1.54 111.895 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.631 HG12 ' CE2' ' A' ' 74' ' ' PHE . 27.1 mt -63.39 123.0 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.822 -0.436 . . . . 0.26 109.822 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.46 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 15.2 t -87.45 -33.96 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.62 -0.432 . . . . 0.28 110.904 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m -158.93 135.41 9.28 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.341 . . . . 0.88 111.626 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' NE2' ' A' ' 118' ' ' GLN . 79.0 t -118.67 107.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.178 -1.045 . . . . 1.36 108.178 171.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.745 ' HG3' HG13 ' A' ' 93' ' ' VAL . 13.2 pttt -132.2 168.3 18.28 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.348 -0.842 . . . . 1.7 111.085 -172.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.5 p -122.94 154.3 38.56 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.719 -0.673 . . . . 0.72 109.474 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.9 mp0 -60.29 -176.02 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.961 0.726 . . . . 0.47 112.961 -174.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.96 90.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 0.72 111.077 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.14 -24.57 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 1.59 109.118 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 6.0 p30 37.21 51.69 1.1 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.447 -1.252 . . . . 1.14 113.172 174.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.1 m -52.38 -66.83 0.32 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.594 -0.521 . . . . 0.68 109.594 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 15.4 ptpt -115.01 1.44 13.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.939 -0.573 . . . . 1.47 112.394 173.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.46 123.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.879 0.696 . . . . 0.39 112.879 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.5 mp -106.2 151.83 24.26 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.22 110.022 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.745 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -134.32 111.94 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.654 0.74 . . . . 0.24 110.711 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 93' ' ' VAL . 1.9 mp -123.01 131.8 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.138 -0.483 . . . . 0.18 109.786 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -123.66 142.64 50.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.987 0.422 . . . . 0.2 110.499 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' A' ' 99' ' ' PRO . 2.2 p -118.76 144.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.128 -0.487 . . . . 0.14 110.213 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 44.6 t-20 -131.67 96.65 4.01 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.459 -0.497 . . . . 1.87 111.587 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 163.06 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.149 1.38 . . . . 0.75 108.504 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 49.7 Cg_exo -59.07 171.0 2.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.907 1.738 . . . . 0.4 110.302 159.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.18 116.22 18.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.882 -0.414 . . . . 1.87 109.882 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.28 116.35 0.46 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.187 3.258 . . . . 0.57 114.014 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -145.93 135.28 22.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.437 -0.801 . . . . 0.33 109.584 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 93' ' ' VAL . 86.3 m -112.08 113.3 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.193 0.52 . . . . 0.28 110.103 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -93.57 126.64 38.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.605 -0.725 . . . . 0.3 111.095 -172.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.3 m-20 -100.97 103.48 14.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.277 -0.638 . . . . 0.46 109.277 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.43 ' HD1' HG11 ' A' ' 31' ' ' VAL . 89.0 m-85 -84.94 108.95 17.82 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.744 -0.835 . . . . 0.34 108.744 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.407 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 26.8 m -122.83 139.02 54.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.259 -0.428 . . . . 0.39 110.921 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -139.5 167.73 21.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.211 -0.663 . . . . 0.39 109.211 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.473 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -66.18 -42.37 88.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.944 -0.761 . . . . 1.94 108.944 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.457 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 10.9 t -81.01 112.45 32.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.225 -0.898 . . . . 1.03 110.278 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.522 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 9.9 Cg_endo -55.28 -41.15 81.2 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.496 2.131 . . . . 1.09 111.726 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.1 72.47 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.836 -0.697 . . . . 0.63 112.471 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.2 tp10 -66.84 -53.1 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.392 . . . . 1.14 110.725 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.589 ' NH1' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -74.31 -28.85 61.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.83 111.203 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.589 ' HG2' ' NH1' ' A' ' 114' ' ' ARG . 51.8 mm-40 -54.04 -48.47 70.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.563 0.22 . . . . 1.59 110.911 172.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 42.0 m -57.87 -32.62 67.85 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.825 -0.625 . . . . 1.15 110.945 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.63 -52.72 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.867 0.365 . . . . 0.26 110.604 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.577 ' NE2' HG12 ' A' ' 82' ' ' VAL . 51.9 tp60 -51.82 -49.03 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.35 -0.841 . . . . 0.74 112.12 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.8 pt-20 -74.58 -39.44 62.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.777 0.322 . . . . 0.47 111.814 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 116' ' ' SER . 44.8 mm-40 -73.42 -37.91 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.645 0.609 . . . . 0.32 112.645 -172.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.85 -38.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.663 0.268 . . . . 0.22 110.393 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -63.81 -42.56 97.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.383 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 m -63.05 -35.64 80.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.03 110.74 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.499 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -70.99 -43.95 66.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.18 110.114 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.456 ' SD ' HG21 ' A' ' 82' ' ' VAL . 48.2 mtp -57.6 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.26 111.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 130' ' ' MET . 35.3 mmtp -70.85 -19.79 62.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.938 -0.573 . . . . 1.34 110.751 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 130' ' ' MET . 52.3 t80 -71.93 -55.85 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.301 177.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -85.89 -26.99 25.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.816 -0.354 . . . . 1.63 111.366 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.8 t -100.85 17.74 21.33 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.951 0.405 . . . . 1.11 110.601 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 19.9 ptp -63.91 136.3 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.508 -0.553 . . . . 3.86 109.508 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.496 -0.764 . . . . 4.4 109.665 -177.38 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 35.6 t . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.666 -0.494 . . . . 1.81 109.666 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.31 84.07 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.839 -0.619 . . . . 0.97 111.307 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -69.46 -50.01 49.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 1.64 110.23 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 27.9 t70 -63.79 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.951 -0.568 . . . . 2.69 111.202 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.0 tp -63.42 -36.8 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.59 110.447 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.6 ttm180 -66.99 -50.21 62.98 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.745 -0.207 . . . . 1.88 110.646 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.489 ' O ' ' HG2' ' A' ' 21' ' ' MET . 64.1 mtt -57.08 -38.94 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.732 0.301 . . . . 1.78 110.973 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.9 ptpt -74.58 -38.52 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.458 -0.497 . . . . 1.61 110.544 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.682 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.5 tmtp? -69.4 -40.52 77.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.99 110.629 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 16' ' ' ARG . 24.7 m -65.44 -31.46 53.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.21 110.458 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' MET . 24.2 mmt -65.57 -34.67 78.78 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.707 0.289 . . . . 2.72 110.292 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 11.9 mt-30 -64.98 -46.87 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.163 -0.68 . . . . 1.05 109.163 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 45.8 m-85 -64.12 -38.92 92.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.484 -0.78 . . . . 0.38 110.501 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 34.1 ttt180 -57.71 -40.85 80.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.149 -176.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.8 -34.09 76.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.017 0.437 . . . . 2.87 111.013 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -80.28 -13.17 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.329 0.585 . . . . 0.28 110.559 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.52 -13.55 19.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.502 -0.772 . . . . 0.21 110.902 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 60.7 m -91.19 104.63 17.16 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.2 111.403 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.55 173.37 16.4 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.841 -1.072 . . . . 0.79 111.545 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 m -98.95 124.2 52.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.419 -0.956 . . . . 1.03 108.419 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -146.42 148.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.62 -0.718 . . . . 0.26 109.753 -173.608 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.6 tmtt? -102.45 118.16 36.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.119 0.485 . . . . 0.67 110.481 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' ' HA ' ' A' ' 39' ' ' SER . 26.8 mt -85.9 143.87 27.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.21 110.687 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 30.0 mtmt -144.47 106.65 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.896 -0.593 . . . . 0.84 110.083 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.4 t -169.29 -165.81 0.56 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.956 -0.298 . . . . 0.34 110.515 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -63.08 -18.92 63.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.542 0.687 . . . . 3.02 110.084 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.65 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 37.4 tp -64.29 -64.86 0.77 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.658 -1.156 . . . . 1.0 109.472 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 10.2 p90 -179.83 -173.23 0.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.381 -0.827 . . . . 0.82 109.032 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.713 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 9.4 p -136.81 99.42 4.03 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.81 -0.441 . . . . 0.34 109.81 172.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 72.4 mm-40 -152.03 157.05 41.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 2.08 109.672 -175.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m -81.84 115.69 21.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.189 0.519 . . . . 0.32 110.168 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.14 161.4 15.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.741 -0.663 . . . . 0.23 109.866 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -102.45 122.97 45.36 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.164 -0.68 . . . . 1.61 109.164 172.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.757 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.49 159.1 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.371 -0.377 . . . . 0.35 110.546 -174.158 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 54' ' ' GLN . 13.2 t -176.53 -169.72 0.3 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.248 -1.019 . . . . 0.21 108.248 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 31.8 p -140.94 174.4 10.55 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.805 -0.358 . . . . 0.19 110.407 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 t -62.16 163.42 8.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.201 0.524 . . . . 1.15 110.706 176.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -73.6 -15.89 61.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.559 -0.746 . . . . 2.1 110.292 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -104.13 0.47 29.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.71 109.708 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' O ' HD11 ' A' ' 124' ' ' LEU . . . 71.63 6.73 63.38 Favored Glycine 0 C--O 1.222 -0.648 0 CA-C-N 115.645 -0.707 . . . . 0.43 112.845 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 46.6 mt-10 -82.56 -7.58 59.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.328 0.492 . . . . 1.99 112.328 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 47' ' ' SER . 24.4 mt-10 -142.95 147.84 35.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.692 -0.231 . . . . 1.49 110.937 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.4 t -100.55 138.54 24.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.877 -1.157 . . . . 0.34 107.877 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . 12.1 pt20 -148.28 150.08 33.02 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.953 -0.299 . . . . 2.12 110.269 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -141.85 162.02 36.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.403 0.621 . . . . 0.29 111.551 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 38.2 m-85 -118.89 126.3 51.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.863 -1.062 . . . . 0.53 108.914 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -89.75 106.08 18.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.189 0.518 . . . . 1.2 111.683 -171.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.59 -90.35 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.145 -0.934 . . . . 1.35 113.204 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -64.7 162.62 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.229 0.538 . . . . 4.98 111.636 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -79.82 62.47 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.541 -0.754 . . . . 3.89 111.422 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.2 m -67.45 118.71 11.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 2.95 110.034 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -147.93 153.62 39.3 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.695 0.283 . . . . 1.69 110.524 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.472 ' H ' ' HA ' ' A' ' 67' ' ' ARG . . . -75.89 -129.82 0.3 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.063 -0.589 . . . . 1.99 111.769 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.9 68.44 3.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.444 0.164 . . . . 1.76 110.699 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 71.9 -43.63 0.57 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.582 0.753 . . . . 3.33 112.315 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.86 5.1 8.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.031 0.443 . . . . 2.86 111.748 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.579 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 49.0 mtt180 63.18 55.39 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.293 -0.867 . . . . 3.34 112.652 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.85 53.39 0.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.199 0.523 . . . . 2.24 110.19 174.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -152.72 74.97 7.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.652 -0.704 . . . . 2.92 109.239 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 12.0 Cg_exo -71.4 156.51 58.39 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.057 2.505 . . . . 0.59 113.127 -176.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -91.44 -10.11 42.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.323 -0.853 . . . . 1.02 110.302 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 178.8 47.6 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.066 -0.814 . . . . 0.26 111.066 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.24 -176.26 27.15 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.384 -0.912 . . . . 0.4 112.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 79' ' ' ILE . 1.7 p90 -167.07 157.25 10.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 122.352 0.261 . . . . 0.21 110.35 -175.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.9 137.2 40.76 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.25 112.681 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 125' ' ' MET . 55.7 t -66.76 -35.26 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.245 -0.889 . . . . 0.3 111.549 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.8 -17.95 64.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.188 0.518 . . . . 1.29 110.746 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.37 -5.75 42.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 1.54 111.951 -176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.619 HG12 ' CE2' ' A' ' 74' ' ' PHE . 12.0 mt -64.09 116.54 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.437 -0.579 . . . . 0.26 109.437 175.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 9.2 t -82.75 -33.51 27.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.648 -0.421 . . . . 0.28 110.905 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 m -159.89 131.53 6.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.86 0.362 . . . . 0.88 111.573 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' SD ' ' A' ' 125' ' ' MET . 74.1 t -110.28 107.82 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.449 -0.945 . . . . 1.36 108.449 171.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.601 ' HB2' HG13 ' A' ' 93' ' ' VAL . 8.5 mtpp -126.95 166.75 16.94 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.35 -0.841 . . . . 1.7 111.298 -171.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 p -119.12 154.57 33.03 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.639 -0.874 . . . . 0.72 108.639 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.1 mp0 -58.86 177.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.334 0.494 . . . . 0.47 112.334 -175.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.65 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.59 0.233 . . . . 0.72 111.176 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.67 -22.96 10.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.566 -0.531 . . . . 1.59 109.566 174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.5 p30 37.5 55.37 1.44 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.591 -1.186 . . . . 1.14 113.644 171.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.1 m -56.73 -67.07 0.34 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.454 -0.498 . . . . 0.68 109.901 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' THR . 18.7 ptmt -114.44 4.48 15.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.244 -0.434 . . . . 1.47 112.112 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.6 134.6 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.67 0.618 . . . . 0.39 112.67 -170.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.9 mp -114.95 152.22 32.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.274 0.63 . . . . 0.22 109.833 174.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.4 p -134.05 109.43 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.577 0.703 . . . . 0.24 111.018 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.458 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.0 mp -120.93 125.09 73.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.18 110.404 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 m -114.8 142.5 46.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 0.2 110.536 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.559 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.2 p -120.13 142.7 34.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.14 110.972 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.515 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 27.0 t-20 -117.96 140.44 49.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.328 -0.396 . . . . 1.87 110.428 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 9.2 t30 100.71 -58.34 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.58 1.552 . . . . 0.75 111.432 -177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 51.8 Cg_exo -58.69 170.85 2.3 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.482 1.455 . . . . 0.4 111.142 162.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -60.71 115.78 15.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.38 -0.6 . . . . 1.87 109.38 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.72 112.78 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.411 2.741 . . . . 0.57 113.108 -172.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -143.79 140.06 29.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.295 -0.866 . . . . 0.33 109.121 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 93' ' ' VAL . 97.7 m -116.43 108.64 16.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.307 0.575 . . . . 0.28 109.878 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -89.47 123.18 33.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.596 -0.729 . . . . 0.3 110.971 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.3 m-20 -100.07 103.67 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.554 -0.535 . . . . 0.46 109.554 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.414 ' HD1' HG11 ' A' ' 31' ' ' VAL . 92.9 m-85 -85.0 109.82 18.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.118 -0.697 . . . . 0.34 109.118 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.5 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 28.4 m -122.18 138.01 54.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.863 -0.608 . . . . 0.39 110.728 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -141.25 165.22 28.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.868 -0.419 . . . . 0.39 109.868 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.91 -25.78 67.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.099 0.476 . . . . 1.94 110.201 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.44 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 23.2 t -98.72 109.81 54.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.669 . . . . 1.03 110.153 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' SER . 6.7 Cg_endo -50.87 -39.61 58.36 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.805 2.337 . . . . 1.09 111.886 172.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.95 81.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.542 -0.837 . . . . 0.63 112.41 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.0 tp10 -63.09 -52.61 61.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 1.14 111.46 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.585 ' NH1' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -72.31 -36.02 68.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.58 -0.448 . . . . 2.83 110.867 -176.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.585 ' HG3' ' NH1' ' A' ' 114' ' ' ARG . 23.7 mt-10 -58.02 -41.46 83.19 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.846 -0.342 . . . . 1.59 110.734 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 m -59.01 -33.79 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 120.852 0.358 . . . . 1.15 110.386 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.545 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -72.1 -49.31 37.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 0.26 109.853 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.453 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.9 tp-100 -51.26 -50.25 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.759 -1.109 . . . . 0.74 112.14 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.62 -41.61 60.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.806 0.336 . . . . 0.47 111.731 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 39.3 mm-40 -68.61 -38.49 80.64 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.309 0.485 . . . . 0.32 112.309 -173.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.5 tp -62.74 -37.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.035 -0.266 . . . . 0.22 110.438 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.448 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.8 mt-30 -68.24 -38.84 82.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.43 . . . . 1.0 110.428 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.8 t -62.23 -37.98 87.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.65 -0.704 . . . . 1.03 110.069 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.5 tm? -68.38 -47.97 65.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.296 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.469 ' HG2' HD12 ' A' ' 79' ' ' ILE . 46.1 mtp -53.35 -52.51 58.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.491 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.585 ' HA ' ' HB3' ' A' ' 129' ' ' SER . 74.3 mmtt -73.75 -26.76 60.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.122 -0.49 . . . . 1.34 111.268 -175.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.61 -42.42 92.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.832 0.348 . . . . 0.47 110.234 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 9.8 ptm -92.18 -20.75 20.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.445 -0.343 . . . . 1.63 111.039 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.585 ' HB3' ' HA ' ' A' ' 126' ' ' LYS . 11.4 t -73.7 -43.19 59.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.28 0.562 . . . . 1.11 110.966 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.28 117.08 18.44 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.325 -0.852 . . . . 3.86 109.828 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.276 -0.869 . . . . 4.4 109.979 -178.427 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.523 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 12.6 t . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.802 -0.444 . . . . 1.81 109.802 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.33 94.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.536 -0.757 . . . . 0.97 111.546 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.3 m -69.17 -46.53 67.3 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.108 -0.496 . . . . 1.64 110.981 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 4.3 m-20 -66.43 -46.5 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.393 . . . . 2.69 111.674 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.6 tp -62.91 -36.09 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.59 110.205 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.5 ttm180 -64.04 -48.35 76.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.407 -0.36 . . . . 1.88 110.288 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 13' ' ' SER . 92.8 mtp -56.02 -39.11 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.608 0.242 . . . . 1.78 111.319 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 12.4 ptpt -75.77 -34.02 60.23 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.416 -0.513 . . . . 1.61 110.673 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 5.4 tmtp? -75.44 -39.56 58.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.725 0.297 . . . . 0.99 111.323 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG21 ' C ' ' A' ' 49' ' ' ASP . 33.1 m -65.34 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.943 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 20.9 ptt? -71.22 -28.58 64.3 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 2.72 109.991 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.688 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 9.4 mt-30 -66.28 -49.89 65.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.013 -0.736 . . . . 1.05 109.013 172.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 47.4 m-85 -61.76 -31.22 71.39 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.417 -0.81 . . . . 0.38 110.312 175.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -61.02 -38.61 86.72 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.856 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HD3' ' O ' ' A' ' 21' ' ' MET . 2.3 mpp_? -64.67 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.097 0.475 . . . . 2.87 110.394 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -84.24 -15.58 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.28 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.3 mp -100.02 -13.87 18.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.822 -0.626 . . . . 0.21 110.633 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 91.9 m -83.03 104.8 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.568 -0.53 . . . . 0.2 109.568 175.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -147.64 164.81 32.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.697 -0.683 . . . . 0.79 110.182 -174.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -103.17 127.27 57.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.725 -0.843 . . . . 1.03 108.725 170.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.63 160.23 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 0.26 110.27 -172.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -113.31 124.7 53.11 Favored 'General case' 0 C--N 1.313 -1.007 0 O-C-N 121.921 -0.487 . . . . 0.67 110.194 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 39' ' ' SER . 23.9 mt -90.34 142.61 27.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.21 111.255 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 32.8 mtmt -144.41 106.4 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 0.84 109.92 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 37' ' ' LEU . 4.5 t -169.45 -166.59 0.61 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 121.073 -0.251 . . . . 0.34 110.554 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.89 -14.45 62.78 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.541 0.686 . . . . 3.02 110.144 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.538 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 24.8 tp -65.57 -64.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.036 -0.983 . . . . 1.0 109.192 172.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 178.62 -175.99 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.23 -0.895 . . . . 0.82 109.176 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.55 101.23 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 0.34 109.599 171.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -153.24 159.31 42.58 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.274 -0.421 . . . . 2.08 109.965 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 26.3 m -83.35 124.49 30.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.496 -0.557 . . . . 0.32 109.496 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.84 153.9 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.908 -0.587 . . . . 0.23 109.828 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 29.8 ttmt -100.11 119.63 38.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.029 -0.73 . . . . 1.61 109.029 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.15 156.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.133 0.492 . . . . 0.35 110.726 -174.306 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -174.17 -172.22 0.68 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.988 -1.005 . . . . 0.21 108.438 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' HB3' HD23 ' A' ' 27' ' ' LEU . 30.7 p -129.15 169.66 14.5 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.698 -0.401 . . . . 0.19 110.431 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.518 ' HB2' ' HB3' ' A' ' 52' ' ' GLU . 27.6 t -63.36 165.9 7.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 1.15 110.53 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.963 0.411 . . . . 2.1 110.25 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG21 ' A' ' 20' ' ' VAL . 3.2 m-20 -94.73 -0.99 53.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.71 110.136 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.28 4.47 73.81 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.963 -0.562 . . . . 0.43 112.624 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -73.38 1.07 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.025 0.38 . . . . 1.99 112.025 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 47' ' ' SER . 20.7 tt0 -153.62 150.87 29.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.936 -0.306 . . . . 1.49 111.657 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 76' ' ' VAL . 59.2 t -107.98 115.69 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.961 -1.126 . . . . 0.34 107.961 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.03 161.51 27.39 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.507 0.194 . . . . 2.12 110.653 -171.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 6.0 p90 -147.65 156.72 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 0.29 112.516 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 67' ' ' ARG . 63.2 m-85 -115.1 112.02 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.911 -1.04 . . . . 0.53 109.189 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -86.87 149.83 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 1.2 111.986 -170.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.63 -84.65 1.15 Allowed Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.641 -0.709 . . . . 1.35 112.172 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -142.72 -54.51 0.41 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.988 -0.375 . . . . 4.98 109.988 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.9 t -164.52 103.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.062 0.458 . . . . 3.89 110.663 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.1 p -110.72 31.62 5.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.941 -0.572 . . . . 2.95 109.549 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -66.0 107.38 1.86 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.361 -0.836 . . . . 1.69 112.105 -173.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.456 ' HA3' ' CB ' ' A' ' 69' ' ' LYS . . . -50.12 132.36 28.88 Favored Glycine 0 CA--C 1.509 -0.342 0 CA-C-N 115.351 -0.841 . . . . 1.99 113.962 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 46.66 31.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.482 0.713 . . . . 1.76 112.874 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 72.11 -40.98 0.49 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.402 0.681 . . . . 3.33 112.278 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.51 12.9 1.78 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.986 0.422 . . . . 2.86 110.899 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.7 mtm180 61.52 55.74 2.73 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.3 -0.864 . . . . 3.34 110.098 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -92.65 -22.84 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.842 . . . . 2.24 109.958 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -122.6 104.62 36.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.25 -0.887 . . . . 2.92 109.856 -175.091 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 7.6 Cg_exo -74.29 166.47 29.44 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.919 2.413 . . . . 0.59 111.826 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -100.15 4.54 44.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 1.02 109.384 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.83 176.89 39.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.665 -0.974 . . . . 0.26 110.665 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 151.63 157.65 8.0 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.124 -1.036 . . . . 0.4 113.049 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -138.44 150.98 68.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.802 -0.444 . . . . 0.21 109.802 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 24.1 Cg_exo -64.22 143.52 83.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.25 112.715 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 56.0 t -71.14 -38.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.981 -1.009 . . . . 0.3 111.925 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.13 -14.92 61.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 1.29 110.399 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.631 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -92.24 -5.89 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 1.54 111.363 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.651 HG12 ' CE2' ' A' ' 74' ' ' PHE . 20.9 mt -65.16 124.77 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.34 -0.615 . . . . 0.26 109.34 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.521 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.6 t -87.13 -30.52 21.01 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.617 -0.433 . . . . 0.28 111.016 -175.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.1 m -158.18 136.21 10.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.88 111.355 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG21 HG23 ' A' ' 121' ' ' ILE . 3.8 p -117.45 106.78 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.475 -0.935 . . . . 1.36 108.475 173.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.712 ' HG3' HG13 ' A' ' 93' ' ' VAL . 14.9 pttt -135.27 168.06 19.88 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.142 -0.935 . . . . 1.7 111.312 -172.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -128.61 153.58 47.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.314 -0.857 . . . . 0.72 108.942 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.4 OUTLIER -60.86 167.26 2.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 0.47 111.183 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.72 111.886 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.52 -22.26 10.89 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.586 -0.524 . . . . 1.59 109.586 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.6 p30 37.97 53.52 1.59 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.102 -0.954 . . . . 1.14 112.987 175.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.523 HG22 ' HG3' ' A' ' 90' ' ' LYS . 48.0 m -47.77 -71.05 0.08 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.598 -0.274 . . . . 0.68 110.814 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.523 ' HG3' HG22 ' A' ' 89' ' ' THR . 91.7 mttt -116.22 8.54 14.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.54 0.209 . . . . 1.47 111.363 170.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 3.0 t -101.49 119.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.781 0.66 . . . . 0.39 112.781 -171.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 3.5 mp -105.69 152.22 23.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 0.22 109.792 171.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 83' ' ' LYS . 2.3 p -137.6 113.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.447 0.642 . . . . 0.24 111.128 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.484 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.3 mp -128.0 130.2 69.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.292 -0.413 . . . . 0.18 110.084 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -119.61 142.01 48.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.898 0.38 . . . . 0.2 110.734 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 1.5 p -118.84 140.74 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.14 110.876 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 18.2 t-20 -134.84 96.67 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.938 0.399 . . . . 1.87 111.517 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 164.87 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.195 1.398 . . . . 0.75 107.846 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.1 Cg_exo -64.27 172.05 6.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.726 1.617 . . . . 0.4 109.28 154.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.73 113.36 7.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.852 -0.425 . . . . 1.87 109.852 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -43.88 115.3 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.915 3.076 . . . . 0.57 113.727 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 m -138.08 145.64 41.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.159 -0.928 . . . . 0.33 109.357 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.6 m -117.49 110.76 18.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.063 0.459 . . . . 0.28 110.055 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -91.99 125.77 36.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.056 -0.52 . . . . 0.3 110.69 -174.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.612 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m120 -103.03 106.39 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.652 -0.499 . . . . 0.46 109.652 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -84.87 111.36 19.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.529 -0.545 . . . . 0.34 109.529 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.568 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 17.8 m -120.28 138.54 53.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.39 110.238 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -140.46 178.42 7.33 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.768 -0.373 . . . . 0.39 110.062 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 90' ' ' LYS . 1.5 tmtp? -73.01 -38.9 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.21 -0.663 . . . . 1.94 109.21 174.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -84.32 124.3 73.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.301 -0.863 . . . . 1.03 111.036 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.673 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 16.0 Cg_exo -67.83 -24.35 40.46 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.409 2.073 . . . . 1.09 110.986 172.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.47 -38.81 10.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.89 -0.671 . . . . 0.63 112.786 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -56.25 -46.6 79.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.373 0.606 . . . . 1.14 111.108 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.2 OUTLIER -70.0 -40.12 75.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.463 -0.79 . . . . 2.83 110.733 -174.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 23.1 mt-10 -66.95 -35.0 78.99 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.633 0.254 . . . . 1.59 110.715 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -56.62 -38.24 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.402 -0.592 . . . . 1.15 109.402 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -46.65 54.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.26 110.113 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -55.42 -49.83 71.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.454 -0.794 . . . . 0.74 111.989 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 12.1 pt-20 -70.88 -32.88 70.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 0.47 111.263 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.52 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 48.9 mm-40 -76.29 -42.34 45.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.32 112.332 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 82' ' ' VAL . 9.9 tp -62.67 -35.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.464 -0.334 . . . . 0.22 110.131 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 43.7 mt-30 -56.75 -45.4 82.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.241 0.543 . . . . 1.0 110.071 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 m -67.41 -42.19 83.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.443 -0.799 . . . . 1.03 111.185 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.433 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -65.54 -47.06 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.073 -0.343 . . . . 0.18 110.073 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.566 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 40.2 mtp -54.88 -52.32 63.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.26 111.288 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 130' ' ' MET . 73.5 mmtt -71.27 -32.66 68.95 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.32 -0.4 . . . . 1.34 110.801 -176.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.425 ' HE1' ' HA ' ' A' ' 16' ' ' ARG . 86.9 t80 -53.65 -42.82 68.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.891 0.377 . . . . 0.47 111.138 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.0 ptm -97.83 -23.94 15.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.449 -0.341 . . . . 1.63 111.758 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.2 t -95.58 -2.32 48.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.056 0.391 . . . . 1.11 112.056 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 28.0 mtt -70.38 -170.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.002 0.43 . . . . 3.86 111.146 176.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.289 -0.863 . . . . 4.4 111.223 177.019 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.15 -0.315 . . . . 1.81 110.15 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.27 61.19 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.725 1.009 . . . . 0.97 113.725 -167.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -79.15 -40.14 31.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 1.64 110.777 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.35 -48.04 79.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 2.69 111.034 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.528 HD12 ' HE2' ' A' ' 18' ' ' LYS . 4.0 tp -60.48 -37.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.897 0.379 . . . . 0.59 110.028 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttm180 -62.16 -46.74 87.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.999 -0.546 . . . . 1.88 110.76 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.9 mtt -56.83 -40.33 75.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.573 -0.285 . . . . 1.78 111.061 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HE2' HD12 ' A' ' 15' ' ' ILE . 25.5 pttt -76.06 -37.34 58.37 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.446 -0.501 . . . . 1.61 110.395 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 5.1 tmtp? -71.74 -37.07 70.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.99 110.678 -173.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.1 m -65.93 -31.3 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.253 -0.43 . . . . 0.21 110.21 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.3 mmm -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 2.72 110.489 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 12.3 mt-30 -66.94 -47.06 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.119 -0.697 . . . . 1.05 109.119 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CD1' HD23 ' A' ' 124' ' ' LEU . 48.9 m-85 -63.63 -33.83 76.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.506 -0.77 . . . . 0.38 110.584 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 43.7 ttt180 -61.05 -41.2 96.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.886 -176.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.981 0.42 . . . . 2.87 110.287 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.26 -24.04 47.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.906 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.5 mp -91.69 -18.69 23.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.51 177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 86.6 m -75.81 106.12 7.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.226 -0.657 . . . . 0.2 109.226 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 169.78 21.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.107 -0.497 . . . . 0.79 110.149 -175.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.02 125.65 63.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.859 -0.793 . . . . 1.03 108.859 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.26 149.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.818 0.342 . . . . 0.26 110.672 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.0 tmtt? -99.33 118.0 35.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.67 110.253 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.2 mt -85.96 144.21 27.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.21 110.909 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -143.03 106.28 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.68 -0.691 . . . . 0.84 109.527 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.7 t -169.04 -169.43 0.97 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.162 -0.31 . . . . 0.34 110.162 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.04 -15.51 59.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.317 0.58 . . . . 3.02 110.395 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' A' ' 35' ' ' THR . 50.6 tp -64.84 -57.58 8.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.27 -0.877 . . . . 1.0 108.91 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 170.54 -169.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 124.154 0.909 . . . . 0.82 108.842 177.427 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.2 p -137.39 100.75 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.026 -0.361 . . . . 0.34 110.026 173.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.613 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.8 mm-40 -158.69 163.81 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.051 -0.522 . . . . 2.08 110.338 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 55.2 m -83.22 122.2 28.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.139 0.495 . . . . 0.32 110.614 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.8 m -122.55 164.95 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.718 -0.674 . . . . 0.23 109.73 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -109.3 121.78 45.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.906 -0.776 . . . . 1.61 108.906 171.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.72 160.94 3.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 110.174 -0.306 . . . . 0.35 110.174 -175.073 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.3 t -179.53 -173.04 0.24 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.859 -0.793 . . . . 0.21 108.859 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.514 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -134.15 164.27 27.73 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.567 -0.531 . . . . 0.19 109.567 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -72.92 172.31 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.273 -0.269 . . . . 1.15 110.273 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.66 -45.55 91.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.512 0.56 . . . . 2.1 112.512 -170.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.82 3.09 46.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.643 0.258 . . . . 0.71 110.967 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.13 -3.02 59.31 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 121.068 -0.587 . . . . 0.43 113.047 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.93 -28.48 69.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 1.99 111.876 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.85 149.96 49.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.878 0.325 . . . . 1.49 111.878 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 55.4 t -106.1 129.93 58.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.084 -1.08 . . . . 0.34 108.084 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HG3' HG23 ' A' ' 45' ' ' THR . 13.0 pt20 -135.1 153.35 52.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.812 0.339 . . . . 2.12 110.572 -174.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -143.19 154.64 44.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.807 0.813 . . . . 0.29 111.603 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.74 102.69 10.96 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.786 -1.097 . . . . 0.53 109.258 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 48.0 mtmt -81.47 113.99 19.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.207 -0.451 . . . . 1.2 110.589 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.94 -131.99 25.96 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.688 -0.687 . . . . 1.35 112.283 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -95.69 55.23 1.63 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.399 0.619 . . . . 4.98 110.547 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -60.41 142.37 55.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.455 -0.793 . . . . 3.89 109.921 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.57 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 23.2 m -57.36 117.99 4.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.229 -0.441 . . . . 2.95 110.225 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.713 ' C ' ' HA ' ' A' ' 67' ' ' ARG . . . -81.45 49.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 1.69 112.133 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 16.23 -122.97 0.01 OUTLIER Glycine 0 N--CA 1.465 0.598 0 O-C-N 124.889 1.368 . . . . 1.99 115.872 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 63.32 7.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.448 -0.376 . . . . 1.76 111.346 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' C ' ' H ' ' A' ' 67' ' ' ARG . 64.2 mm-40 71.44 -51.53 0.69 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.794 0.838 . . . . 3.33 111.888 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.09 14.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.205 0.526 . . . . 2.86 110.775 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.713 ' HA ' ' C ' ' A' ' 62' ' ' ALA . 3.8 mtt180 57.46 77.81 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 114.798 -1.092 . . . . 3.34 110.549 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -93.46 16.0 14.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.885 . . . . 2.24 110.629 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 61' ' ' THR . 3.5 tppp? -131.23 85.46 53.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.198 0.523 . . . . 2.92 110.582 -176.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.67 162.48 41.16 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.953 2.435 . . . . 0.59 111.84 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 15.6 t -106.81 13.66 27.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.637 0.732 . . . . 1.02 109.299 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.0 156.47 11.6 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.087 -0.961 . . . . 0.26 111.089 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.25 159.84 23.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.616 -0.802 . . . . 0.4 112.356 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.699 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -156.5 156.77 30.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 4.4 Cg_exo -72.24 139.99 33.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.731 2.287 . . . . 0.25 112.735 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 2.4 t -63.15 -40.6 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.635 -1.166 . . . . 0.3 112.334 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.43 -11.04 60.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.861 0.362 . . . . 1.29 111.358 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -95.46 -7.6 37.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 1.54 111.194 -178.384 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' CE2' ' A' ' 74' ' ' PHE . 25.0 mt -64.07 112.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.593 -0.521 . . . . 0.26 109.593 174.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.518 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 13.4 t -78.64 -29.19 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.497 -0.319 . . . . 0.28 111.032 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.484 ' CB ' ' HE2' ' A' ' 83' ' ' LYS . 64.6 m -157.72 131.21 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.893 0.378 . . . . 0.88 111.477 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.571 HG22 HE22 ' A' ' 118' ' ' GLN . 3.7 p -117.88 106.55 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.496 -0.927 . . . . 1.36 108.496 173.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.484 ' HE2' ' CB ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -139.1 166.05 25.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.506 0.67 . . . . 1.7 111.292 -170.264 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 p -109.82 154.81 22.48 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.655 -0.869 . . . . 0.72 108.655 170.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.1 mp0 -56.97 179.58 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.139 0.422 . . . . 0.47 112.139 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.87 75.31 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.804 -0.359 . . . . 0.72 110.295 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.77 -26.12 14.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.306 0.574 . . . . 1.59 110.122 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.621 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.15 42.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 113.511 -1.677 . . . . 1.14 114.532 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.5 m -53.35 -68.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.761 0.315 . . . . 0.68 110.295 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 5.8 ptpp? -113.39 13.48 18.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.368 -0.378 . . . . 1.47 110.863 171.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.44 128.09 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.857 0.688 . . . . 0.39 112.857 -169.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.4 mp -111.86 152.36 28.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.955 -0.566 . . . . 0.22 109.926 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.432 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.4 p -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.76 0.791 . . . . 0.24 111.407 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.432 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.0 mp -119.96 131.71 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.715 . . . . 0.18 109.781 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -123.26 144.34 49.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.616 0.246 . . . . 0.2 110.492 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.0 p -118.52 146.57 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.512 -0.313 . . . . 0.14 111.284 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.518 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 26.6 t-20 -123.79 138.24 54.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.327 -0.397 . . . . 1.87 110.282 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.2 t30 102.33 -59.8 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.594 1.558 . . . . 0.75 111.069 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.5 172.37 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.494 1.463 . . . . 0.4 110.889 161.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.66 113.99 8.46 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.85 -0.426 . . . . 1.87 109.85 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.85 112.51 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.623 2.882 . . . . 0.57 113.105 -172.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -144.35 146.19 32.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.266 -0.879 . . . . 0.33 109.609 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' VAL . 93.9 m -120.44 108.52 14.21 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.558 -0.534 . . . . 0.28 109.558 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -90.03 122.38 32.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.959 -0.564 . . . . 0.3 110.861 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.1 m-20 -102.03 105.36 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.46 109.445 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -84.61 110.86 19.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.549 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 19.0 m -120.98 136.24 55.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.686 -0.688 . . . . 0.39 110.377 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -141.35 172.14 13.09 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.73 -0.388 . . . . 0.39 110.217 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.58 -42.26 78.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.2 0.524 . . . . 1.94 109.645 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -72.25 124.1 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.555 -0.748 . . . . 1.03 111.425 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' C ' HH21 ' A' ' 114' ' ' ARG . 13.0 Cg_exo -70.8 2.34 4.21 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.589 2.193 . . . . 1.09 111.751 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.99 -45.04 0.9 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.735 -0.745 . . . . 0.63 112.509 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.44 -45.18 55.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.582 0.586 . . . . 1.14 112.582 -171.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -69.67 -47.44 63.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.871 -0.604 . . . . 2.83 110.925 -172.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.75 -32.12 70.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.436 -0.347 . . . . 1.59 111.336 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.459 . . . . 1.15 109.824 170.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -72.49 -45.04 61.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.26 109.459 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.655 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 48.6 tp60 -51.93 -50.26 61.51 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.033 -0.985 . . . . 0.74 112.242 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.56 -29.52 64.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.118 0.485 . . . . 0.47 111.051 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 42.5 mm-40 -75.69 -45.53 36.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.103 -0.499 . . . . 0.32 111.753 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' A' ' 125' ' ' MET . 6.8 tp -60.07 -44.31 94.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.501 -0.318 . . . . 0.22 110.76 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 11.3 pt20 -69.38 -31.57 70.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.874 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.4 m -71.33 -34.96 71.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.298 -0.41 . . . . 1.03 110.221 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -66.51 -45.35 79.83 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.292 -0.633 . . . . 0.18 109.292 174.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.525 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.5 mtp -54.17 -53.81 48.31 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.26 110.729 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 129' ' ' SER . 74.2 mmtt -71.27 -28.28 64.03 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.553 -0.294 . . . . 1.34 111.13 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -55.08 -40.61 70.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.894 0.378 . . . . 0.47 110.823 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ptp -103.54 -20.41 14.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.63 111.475 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 126' ' ' LYS . 35.9 m -81.77 -21.51 37.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.068 0.395 . . . . 1.11 112.068 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.45 97.96 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.49 -0.559 . . . . 3.86 109.49 174.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.426 -0.797 . . . . 4.4 110.473 -175.158 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 109.934 -0.395 . . . . 1.81 109.934 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.52 -57.71 9.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.036 0.754 . . . . 0.97 113.036 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.8 m -68.37 -39.53 81.75 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.714 0.293 . . . . 1.64 111.475 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -63.07 -49.34 74.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 2.69 111.148 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.5 tp -66.12 -36.71 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 109.87 -0.418 . . . . 0.59 109.87 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.5 ttm180 -60.65 -47.01 88.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.075 -0.511 . . . . 1.88 111.187 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.9 -38.62 82.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.707 0.289 . . . . 1.78 111.318 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 17.4 ptpt -75.59 -34.68 60.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.524 -0.471 . . . . 1.61 110.036 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.4 tmtp? -73.35 -39.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 0.99 111.104 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.9 m -63.73 -31.17 52.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.605 -0.27 . . . . 0.21 110.316 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.021 0.438 . . . . 2.72 110.436 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 9.4 mt-30 -66.07 -40.29 90.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.795 -0.639 . . . . 1.05 109.591 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -70.6 -36.1 73.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.559 -0.746 . . . . 0.38 110.298 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 27.3 ttt180 -58.94 -42.11 89.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.57 110.891 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -65.44 -33.51 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.847 0.356 . . . . 2.87 110.786 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -17.3 50.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.288 0.566 . . . . 0.28 110.931 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.11 -14.24 21.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.899 -0.592 . . . . 0.21 110.725 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.4 m -84.77 105.79 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.144 0.497 . . . . 0.2 110.18 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.0 mptm? -150.6 171.14 17.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.384 -0.825 . . . . 0.79 109.417 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 108' ' ' PHE . 1.1 t -108.86 129.71 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 107.696 -1.224 . . . . 1.03 107.696 166.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.15 148.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.976 -0.556 . . . . 0.26 109.643 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 8.1 tmtt? -100.23 118.74 37.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.079 0.466 . . . . 0.67 110.619 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 39' ' ' SER . 21.0 mt -85.64 145.56 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.68 -0.691 . . . . 0.21 110.618 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.9 mtmt -145.96 106.6 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.84 109.889 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.1 t -169.14 -168.29 0.82 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.267 -0.272 . . . . 0.34 110.267 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -60.27 -21.0 61.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.321 0.581 . . . . 3.02 110.254 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -64.35 -62.6 1.5 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 1.0 109.69 176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 177.88 -175.42 0.17 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.755 -0.657 . . . . 0.82 109.408 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 44.1 p -133.42 99.15 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.766 -0.457 . . . . 0.34 109.766 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 76.7 mm-40 -153.32 157.98 40.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.815 -0.439 . . . . 2.08 109.815 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 84.8 m -80.53 119.65 23.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 0.32 109.711 174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.43 152.51 20.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.465 -0.789 . . . . 0.23 109.213 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 40.3 ttpt -97.22 119.86 36.5 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.779 -0.822 . . . . 1.61 108.779 173.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.2 152.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.784 -0.45 . . . . 0.35 109.784 -173.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 t -171.38 -171.02 0.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.552 -0.907 . . . . 0.21 108.552 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.7 p -144.17 164.79 29.68 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.771 -0.372 . . . . 0.19 111.092 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 t -60.75 160.08 9.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.82 -0.627 . . . . 1.15 110.869 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.81 -13.3 62.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 2.1 112.105 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -110.43 8.2 23.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.04 0.448 . . . . 0.71 110.072 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.36 23.38 64.44 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.339 -0.846 . . . . 0.43 112.682 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.55 -12.17 54.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 1.99 111.436 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -149.79 148.01 28.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.798 -0.361 . . . . 1.49 111.06 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -109.13 126.41 66.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.763 -0.829 . . . . 0.34 108.763 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 5.0 mm-40 -120.4 159.79 24.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.549 0.214 . . . . 2.12 110.538 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.2 151.41 36.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.525 0.679 . . . . 0.29 111.377 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.76 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 54.3 m-85 -117.36 112.85 21.27 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.101 -0.954 . . . . 0.53 109.335 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' HB3' ' A' ' 71' ' ' SER . 44.9 mtmt -78.84 126.2 30.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.252 -0.431 . . . . 1.2 111.391 -173.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.57 -80.0 1.34 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.148 -0.549 . . . . 1.35 112.572 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -85.48 141.73 29.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.059 -0.348 . . . . 4.98 110.059 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -79.71 53.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 3.89 111.01 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -58.22 157.29 8.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.452 -0.795 . . . . 2.95 111.447 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -158.87 98.78 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 1.69 110.233 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' HA3' ' N ' ' A' ' 69' ' ' LYS . . . -48.34 120.61 6.63 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.304 -0.862 . . . . 1.99 114.33 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . 47.56 36.5 5.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.502 0.721 . . . . 1.76 112.556 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 71.2 -30.55 0.21 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.255 0.622 . . . . 3.33 112.272 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 64' ' ' ALA . 35.9 m-20 -78.56 0.5 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.15 0.5 . . . . 2.86 110.339 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 7.8 mtt180 60.53 43.5 12.86 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 114.843 -1.071 . . . . 3.34 109.453 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -87.0 -4.28 59.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.713 -1.13 . . . . 2.24 111.119 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' ' HA3' ' A' ' 63' ' ' GLY . 12.3 tppt? -125.23 80.08 65.31 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.039 -0.528 . . . . 2.92 110.143 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.76 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 8.3 Cg_exo -73.95 166.21 30.22 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.999 2.466 . . . . 0.59 112.68 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 7.9 t -104.42 17.24 24.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.662 -0.866 . . . . 1.02 108.662 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.03 162.71 11.01 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.845 -1.07 . . . . 0.26 110.801 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.93 -172.93 42.19 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.371 -0.918 . . . . 0.4 112.594 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -166.08 150.94 7.53 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.627 0.251 . . . . 0.21 110.357 179.319 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 17.3 Cg_exo -66.61 138.08 48.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.93 2.42 . . . . 0.25 112.464 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 53' ' ' VAL . 67.3 t -62.41 -39.26 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.974 -1.012 . . . . 0.3 111.513 -177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.28 -17.77 63.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.808 -0.633 . . . . 1.29 111.179 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 12.0 mptt -95.54 -5.53 42.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.193 -0.458 . . . . 1.54 111.691 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.641 HG12 ' CE2' ' A' ' 74' ' ' PHE . 26.4 mt -65.8 129.53 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.97 -0.752 . . . . 0.26 108.97 173.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 8.9 t -90.58 -40.43 11.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.105 -0.638 . . . . 0.28 111.249 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.9 m -158.94 138.15 11.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.774 0.321 . . . . 0.88 111.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.638 HG12 ' NE2' ' A' ' 118' ' ' GLN . 70.6 t -119.46 107.73 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.422 -0.584 . . . . 1.36 109.422 177.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 167.23 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.665 0.745 . . . . 1.7 111.51 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -111.4 155.55 22.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.72 108.738 171.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.505 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 1.2 mp0 -61.71 -173.82 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.081 0.4 . . . . 0.47 112.081 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.71 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.939 0.399 . . . . 0.72 110.519 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.8 -26.06 12.4 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.71 -0.478 . . . . 1.59 109.71 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.505 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 7.9 p30 34.65 39.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.856 1.428 . . . . 1.14 114.856 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 53.4 m -57.24 -58.59 7.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.424 -0.51 . . . . 0.68 110.047 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 4.4 ptpp? -115.91 12.51 15.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 1.47 112.203 169.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.6 128.96 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.552 0.575 . . . . 0.39 112.552 -169.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.3 mp -117.39 152.08 35.71 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.029 -0.532 . . . . 0.22 109.979 174.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.473 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.0 p -136.54 109.64 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.648 0.737 . . . . 0.24 111.349 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -122.91 132.51 71.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 0.18 110.451 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.6 m -121.4 145.02 48.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.2 110.739 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.415 ' HA ' ' H ' ' A' ' 80' ' ' THR . 1.9 p -119.54 140.85 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.14 110.466 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 20.0 t-20 -132.04 96.27 3.87 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.105 0.479 . . . . 1.87 111.783 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.658 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.7 t30 165.1 -55.23 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.605 0 CA-C-N 114.113 -1.403 . . . . 0.75 108.108 171.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.0 Cg_exo -60.64 172.72 2.57 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 121.82 1.68 . . . . 0.4 109.516 156.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.02 115.19 11.98 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.748 -0.464 . . . . 1.87 109.748 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.03 114.8 0.6 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.955 3.103 . . . . 0.57 113.378 -173.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -141.77 145.04 34.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.425 -0.807 . . . . 0.33 109.837 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 96.8 m -117.69 114.87 23.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.084 0.469 . . . . 0.28 110.066 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -95.5 129.12 42.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.838 -0.619 . . . . 0.3 110.736 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 2.2 m-20 -103.85 105.47 15.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.46 109.329 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 94' ' ' ILE . 70.5 m-85 -83.91 110.49 18.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.943 -0.762 . . . . 0.34 108.943 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.579 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 29.8 m -120.88 134.04 55.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.7 -0.682 . . . . 0.39 110.412 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 30' ' ' VAL . 4.1 t80 -141.39 170.23 16.12 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.795 -0.446 . . . . 0.39 109.795 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.4 -48.92 68.55 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.491 1.138 . . . . 1.94 108.317 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 2.4 m -74.55 117.45 62.25 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 112.777 -2.01 . . . . 1.03 111.338 -172.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 24.8 Cg_exo -61.86 -38.45 59.07 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.627 2.218 . . . . 1.09 111.925 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.6 -27.02 63.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.675 -0.774 . . . . 0.63 112.903 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 8.4 tp10 -63.41 -51.16 66.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 1.14 110.851 -174.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -71.2 -37.66 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.512 -0.767 . . . . 2.83 110.612 -175.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.508 ' HG3' ' NH2' ' A' ' 114' ' ' ARG . 38.9 mt-10 -64.7 -42.78 95.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.59 111.25 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -60.57 -33.73 73.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 1.15 110.055 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 -46.38 62.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.26 110.12 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.638 ' NE2' HG12 ' A' ' 82' ' ' VAL . 51.0 tp60 -51.98 -48.78 64.22 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.214 -0.903 . . . . 0.74 112.265 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.62 -40.59 61.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.713 0.292 . . . . 0.47 111.441 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.24 -40.05 89.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.406 0.521 . . . . 0.32 112.406 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.56 -38.57 81.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.79 0.328 . . . . 0.22 110.395 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.34 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.255 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 m -62.09 -35.67 79.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 1.03 110.56 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.9 tm? -71.05 -45.9 62.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.18 110.049 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 129' ' ' SER . 44.9 mtp -58.59 -51.99 67.54 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.26 111.26 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 130' ' ' MET . 33.8 mmtp -72.9 -17.94 61.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.931 -0.577 . . . . 1.34 111.255 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -71.52 -59.46 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.026 -0.533 . . . . 0.47 111.449 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -95.88 -25.83 15.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 1.63 111.599 -172.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 125' ' ' MET . 66.5 m -103.14 31.99 3.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 1.11 110.157 176.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.429 ' H ' ' HG3' ' A' ' 130' ' ' MET . 0.0 OUTLIER -55.75 143.52 30.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.344 -0.844 . . . . 3.86 111.509 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.604 -0.712 . . . . 4.4 110.139 -178.619 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.459 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 14.8 t . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.999 0.428 . . . . 1.81 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.726 . . . . 0.97 111.187 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -75.13 -44.83 44.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.045 0.45 . . . . 1.64 109.971 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 1.7 m-20 -65.92 -46.1 79.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 2.69 111.357 -177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD12 ' HD2' ' A' ' 18' ' ' LYS . 5.7 tp -61.33 -36.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.405 0.622 . . . . 0.59 110.13 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttt180 -65.8 -47.29 75.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 1.88 110.199 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.5 mtp -60.01 -39.38 85.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.312 . . . . 1.78 111.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.716 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.4 ptpp? -74.44 -33.17 62.87 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.073 -0.651 . . . . 1.61 110.898 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.712 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.8 tmtp? -74.5 -38.79 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.934 -0.479 . . . . 0.99 110.754 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.9 m -67.06 -31.75 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.686 -0.234 . . . . 0.21 111.077 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 15.8 ptp -70.19 -30.62 67.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.565 -0.454 . . . . 2.72 109.959 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.716 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 10.4 mt-30 -62.9 -50.44 70.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.035 -0.728 . . . . 1.05 109.035 172.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.712 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 41.1 m-85 -63.0 -35.46 80.28 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.401 -0.818 . . . . 0.38 110.471 177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.572 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 42.8 ttt180 -58.4 -40.21 81.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.58 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 21' ' ' MET . 85.1 mtt180 -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.209 0.528 . . . . 2.87 110.592 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.67 -13.02 60.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.28 111.194 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -20.93 15.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.792 -0.64 . . . . 0.21 110.758 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.8 m -76.86 105.28 7.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.133 0.492 . . . . 0.2 109.994 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -149.18 165.71 31.01 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.377 -0.828 . . . . 0.79 109.479 -175.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.36 125.77 56.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 107.993 -1.114 . . . . 1.03 107.993 169.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.13 149.57 15.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.205 -0.452 . . . . 0.26 110.409 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 10.0 tmtt? -101.9 121.09 41.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.985 0.421 . . . . 0.67 110.394 -178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.8 mt -85.82 143.57 28.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.89 -0.595 . . . . 0.21 110.651 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 25.8 mtmt -146.04 106.03 4.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.84 109.853 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.7 t -169.36 -170.87 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.209 -0.293 . . . . 0.34 110.209 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -60.38 -18.92 53.59 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.264 0.554 . . . . 3.02 110.413 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB3' HG23 ' A' ' 35' ' ' THR . 30.4 tp -63.2 -66.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 1.0 108.876 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 2.8 p90 -178.46 -175.38 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.487 -0.778 . . . . 0.82 109.205 176.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.65 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 10.1 p -129.21 99.32 5.19 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.205 -0.665 . . . . 0.34 109.205 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -146.84 156.15 42.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.178 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 20.2 m -83.26 117.03 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.235 -0.654 . . . . 0.32 109.235 174.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -121.56 153.43 25.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.818 0.342 . . . . 0.23 110.351 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 26.0 ttpp -98.75 116.54 31.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.631 -0.878 . . . . 1.61 108.631 171.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.33 157.99 3.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.404 -0.362 . . . . 0.35 110.207 -175.139 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -178.97 -169.39 0.15 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.413 -0.812 . . . . 0.21 108.939 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 p -136.78 162.88 31.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.881 -0.414 . . . . 0.19 109.881 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 t -65.09 170.74 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.439 -0.346 . . . . 1.15 110.712 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.92 -47.96 81.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.929 0.344 . . . . 2.1 111.929 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.73 6.81 26.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.71 110.405 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.04 6.46 68.26 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.894 -0.593 . . . . 0.43 113.584 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -70.06 -24.79 63.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.683 0.623 . . . . 1.99 112.683 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 75' ' ' PRO . 14.1 mt-10 -134.83 150.19 50.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.148 0.425 . . . . 1.49 112.148 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 76' ' ' VAL . 45.2 t -95.8 137.39 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.972 -1.122 . . . . 0.34 107.972 170.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -137.1 158.66 43.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.04 -0.264 . . . . 2.12 110.717 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.59 151.65 36.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.571 0.7 . . . . 0.29 111.99 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 60' ' ' SER . 17.0 m-85 -113.58 116.57 29.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.848 -1.069 . . . . 0.53 109.145 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -80.88 120.86 25.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.71 0.291 . . . . 1.2 111.314 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.34 -102.73 1.75 Allowed Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.454 -0.658 . . . . 1.35 111.454 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.22 147.99 22.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.641 -0.503 . . . . 4.98 109.641 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.498 ' HA ' ' HB3' ' A' ' 56' ' ' PHE . 50.6 m -76.11 101.46 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.259 -0.428 . . . . 3.89 110.83 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.6 m -61.67 100.85 0.16 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.472 0.653 . . . . 2.95 109.752 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -85.47 87.77 7.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.469 0.652 . . . . 1.69 111.556 -171.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.479 ' HA3' ' HB2' ' A' ' 69' ' ' LYS . . . -62.44 128.71 41.72 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 114.928 -1.033 . . . . 1.99 113.168 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 56.86 28.31 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.195 0.598 . . . . 1.76 112.054 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 73.06 -38.08 0.41 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.195 0.598 . . . . 3.33 112.124 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.92 1.05 21.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.586 0.708 . . . . 2.86 110.595 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.652 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 17.9 mtm180 69.73 65.21 0.24 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.306 -1.315 . . . . 3.34 112.55 170.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 51.89 1.58 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.428 -0.351 . . . . 2.24 110.921 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 40.8 ttmt -140.6 76.52 24.36 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 2.92 110.5 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.36 153.86 73.26 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.982 2.455 . . . . 0.59 111.813 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -92.74 0.06 57.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.966 -0.561 . . . . 1.02 110.28 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.92 172.45 42.39 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.963 -0.637 . . . . 0.26 111.711 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 -177.27 35.42 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.831 -0.7 . . . . 0.4 112.322 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.674 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -162.43 158.66 20.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 110.307 -0.257 . . . . 0.21 110.307 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 52' ' ' GLU . 14.4 Cg_exo -69.53 135.73 31.76 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.449 . . . . 0.25 112.612 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.413 ' HB ' ' SD ' ' A' ' 128' ' ' MET . 78.6 t -64.17 -35.63 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.118 -0.947 . . . . 0.3 111.235 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.68 -13.5 62.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.612 -0.722 . . . . 1.29 110.96 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -103.55 -6.56 21.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.833 -0.621 . . . . 1.54 111.969 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.674 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.5 mt -64.32 114.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.545 -0.539 . . . . 0.26 109.545 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 10.8 t -81.56 -36.1 29.46 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.826 -0.349 . . . . 0.28 111.228 -175.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 68.5 m -153.36 131.6 11.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.88 111.889 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 125' ' ' MET . 62.7 t -114.94 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.215 -1.032 . . . . 1.36 108.215 170.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -134.05 166.67 22.2 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.369 -0.832 . . . . 1.7 110.24 -170.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 118' ' ' GLN . 77.9 p -115.19 154.45 28.98 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.212 -0.662 . . . . 0.72 109.212 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.627 HE22 ' HB ' ' A' ' 93' ' ' VAL . 2.1 mp0 -60.78 179.73 0.16 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.331 0.493 . . . . 0.47 112.331 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.6 86.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.818 0.342 . . . . 0.72 110.841 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.13 -26.99 13.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.935 -0.394 . . . . 1.59 109.935 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.589 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.41 41.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.215 1.561 . . . . 1.14 115.215 173.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -53.44 -66.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.46 -0.496 . . . . 0.68 109.932 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 5.3 ptpp? -113.71 12.02 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.539 . . . . 1.47 112.245 172.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.88 111.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.488 0.551 . . . . 0.39 112.488 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.641 ' HG ' ' OE1' ' A' ' 118' ' ' GLN . 7.8 mp -98.94 149.94 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 0.22 109.999 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.627 ' HB ' HE22 ' A' ' 85' ' ' GLN . 2.3 p -133.32 110.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.764 0.792 . . . . 0.24 111.382 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.42 HD13 ' CD2' ' A' ' 106' ' ' PHE . 2.1 mp -118.02 131.37 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 0.18 110.326 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -123.13 145.57 48.48 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.097 -0.334 . . . . 0.2 110.097 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.526 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 p -118.65 145.32 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.769 0.318 . . . . 0.14 111.288 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 24.8 t-20 -122.79 142.27 50.92 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.152 -0.476 . . . . 1.87 110.239 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 27.3 t-20 100.59 -61.28 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 125.492 1.517 . . . . 0.75 111.294 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 35.6 Cg_exo -61.17 172.64 3.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.635 1.557 . . . . 0.4 110.67 164.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.46 110.16 2.66 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 1.87 109.708 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.63 115.16 1.11 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.931 3.087 . . . . 0.57 113.654 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 m -140.55 139.05 34.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.441 -0.799 . . . . 0.33 109.718 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.3 m -111.0 120.03 41.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.28 110.047 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -103.17 125.58 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.3 110.582 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 14.1 m120 -105.07 106.85 17.53 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.283 0.563 . . . . 0.46 109.948 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 44' ' ' VAL . 63.3 m-85 -84.89 113.71 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.856 -1.065 . . . . 0.34 109.003 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.507 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 11.8 m -120.73 135.49 55.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.329 -0.396 . . . . 0.39 110.969 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB2' ' NH2' ' A' ' 114' ' ' ARG . 1.8 t80 -141.64 159.14 42.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.714 -0.476 . . . . 0.39 109.714 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.87 -36.1 81.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.064 0.459 . . . . 1.94 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 43.9 t -76.05 118.45 71.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 1.03 111.022 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.74 -26.67 38.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.718 2.278 . . . . 1.09 112.046 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.23 -31.83 53.86 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.666 -0.778 . . . . 0.63 111.353 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 7.1 tp10 -60.99 -41.58 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 1.14 110.012 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.15 -50.14 71.97 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.064 -0.971 . . . . 2.83 109.773 178.303 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 45.6 mt-10 -66.06 -46.09 79.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.295 -1.32 . . . . 1.59 111.487 -175.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.69 -41.78 82.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.439 0.462 . . . . 1.15 110.86 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -44.62 61.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.593 -0.276 . . . . 0.26 111.087 -176.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.641 ' OE1' ' HG ' ' A' ' 92' ' ' LEU . 7.8 tp60 -55.23 -48.83 73.35 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.846 -0.616 . . . . 0.74 112.028 -174.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.7 pt-20 -75.0 -38.77 61.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.986 0.422 . . . . 0.47 111.836 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 49.2 mm-40 -65.97 -41.92 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.04 -0.527 . . . . 0.32 112.259 -173.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.46 -37.42 78.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.344 -0.389 . . . . 0.22 110.576 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.86 -37.5 81.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.486 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 t -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.736 -0.665 . . . . 1.03 110.081 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -66.96 -45.38 77.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.18 109.778 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.452 ' HG2' HD12 ' A' ' 79' ' ' ILE . 50.7 mtp -57.16 -51.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.26 111.13 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 130' ' ' MET . 46.0 mmtm -72.3 -18.07 61.82 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.06 -0.518 . . . . 1.34 111.435 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.15 -57.57 3.93 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 120.323 -0.551 . . . . 0.47 111.089 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.469 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 1.7 ptm -87.45 -36.59 17.61 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.358 0.503 . . . . 1.63 112.358 -172.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 128' ' ' MET . 37.9 t -88.96 -14.17 37.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.327 . . . . 1.11 111.884 -170.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 126' ' ' LYS . 23.3 mmm -63.23 127.04 29.46 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 3.86 111.1 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 4.4 109.944 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 110.648 -0.131 . . . . 1.88 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' ' HG2' ' A' ' 21' ' ' MET . 66.6 mtt -61.43 -34.69 75.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.634 -0.257 . . . . 1.78 111.176 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -75.7 -35.99 60.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.281 -0.568 . . . . 1.61 110.505 175.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -72.62 -39.15 67.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.99 110.724 -174.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 31.2 m -64.3 -31.65 54.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.21 110.248 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 17' ' ' MET . 25.1 mmt -65.59 -34.39 78.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.107 0.48 . . . . 2.72 110.306 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.684 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 43.6 mt-30 -65.93 -46.21 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.05 109.327 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 51.9 m-85 -67.35 -31.82 72.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.705 . . . . 0.38 110.508 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 28.3 ttt180 -60.64 -41.18 94.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.57 110.835 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -66.93 -35.57 80.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.404 . . . . 2.87 110.616 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.35 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.888 -0.596 . . . . 0.28 111.084 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.66 -19.95 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.044 -0.525 . . . . 0.21 110.396 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 85.4 m -76.37 107.23 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.146 -0.687 . . . . 0.2 109.146 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 172.51 16.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.74 126.62 68.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.103 -0.702 . . . . 1.03 109.103 171.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.01 149.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.26 110.377 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.24 120.65 40.83 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.083 0.468 . . . . 0.67 110.194 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.0 mt -86.78 146.08 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.21 110.836 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -145.96 106.07 4.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.535 -0.543 . . . . 0.84 109.535 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.9 t -169.87 -168.26 0.74 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 121.072 -0.251 . . . . 0.34 110.479 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -66.34 -16.45 64.06 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.32 0.581 . . . . 3.02 110.239 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 26.0 tp -65.03 -61.66 2.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.041 173.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.545 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.0 p90 177.72 -178.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.214 -0.903 . . . . 0.82 109.038 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.45 100.15 5.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.372 -0.603 . . . . 0.34 109.372 171.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -151.91 157.43 41.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.618 -0.512 . . . . 2.08 109.618 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 44.6 m -83.05 115.8 22.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.599 -0.519 . . . . 0.32 109.599 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.63 159.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.989 -0.55 . . . . 0.23 110.554 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 39.8 ttpt -102.86 122.71 45.09 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.93 -0.767 . . . . 1.61 108.93 171.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.39 159.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 110.136 -0.32 . . . . 0.35 110.136 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -175.14 -172.01 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.796 -0.816 . . . . 0.21 108.796 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -138.78 161.16 37.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.818 -0.438 . . . . 0.19 109.818 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.548 ' OG ' ' HB2' ' A' ' 52' ' ' GLU . 55.7 m -66.4 -179.2 0.77 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.72 0.267 . . . . 1.15 111.72 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.35 -50.4 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.686 0.279 . . . . 2.1 111.019 -170.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.77 13.09 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 0.71 110.778 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.97 46.22 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 111.73 -0.548 . . . . 0.43 111.73 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 12.9 pt-20 -72.34 -16.18 61.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.523 0.564 . . . . 1.99 112.523 -172.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.548 ' HB2' ' OG ' ' A' ' 47' ' ' SER . 39.8 mt-10 -143.17 153.61 43.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.73 -0.214 . . . . 1.49 111.389 -174.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 59.9 t -106.06 129.25 59.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.34 108.514 170.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HA3' ' A' ' 73' ' ' GLY . 9.3 mm-40 -127.58 156.43 42.27 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.147 -0.316 . . . . 2.12 110.147 -173.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 20.9 p90 -144.26 155.5 43.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.381 0.61 . . . . 0.29 111.66 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.0 m-85 -120.5 119.58 33.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.964 -1.017 . . . . 0.53 109.397 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 71' ' ' SER . 6.4 mtmp? . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.729 0.299 . . . . 1.2 110.675 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 Cg_exo . . . . . 0 N--CA 1.459 -0.523 0 CA-C-O 121.258 0.441 . . . . 0.59 112.419 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 56' ' ' PHE . 3.2 m -78.87 -7.71 58.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.496 -0.774 . . . . 1.02 110.208 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.53 168.27 33.67 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.421 -1.072 . . . . 0.26 110.421 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.488 ' HA3' ' OE1' ' A' ' 54' ' ' GLN . . . 166.69 -175.94 41.9 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.164 -1.017 . . . . 0.4 112.743 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -168.3 156.13 7.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.099 -0.334 . . . . 0.21 110.099 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.7 Cg_exo -68.57 139.99 46.18 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.582 2.188 . . . . 0.25 112.613 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 125' ' ' MET . 38.6 t -67.38 -36.59 76.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.055 -0.975 . . . . 0.3 111.376 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.44 -22.7 64.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.282 0.563 . . . . 1.29 110.411 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HD2' ' N ' ' A' ' 78' ' ' LYS . 1.3 mptp? -91.82 -6.98 50.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 1.54 111.883 -173.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.681 HG12 ' CE2' ' A' ' 74' ' ' PHE . 14.3 mt -61.72 113.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.346 -0.612 . . . . 0.26 109.346 173.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.567 ' HB ' HD22 ' A' ' 97' ' ' ASN . 14.1 t -79.0 -29.6 43.8 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.755 -0.378 . . . . 0.28 111.039 -174.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 137.73 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.88 111.293 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.439 HG22 ' OE1' ' A' ' 118' ' ' GLN . 7.3 p -123.3 107.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.583 -0.895 . . . . 1.36 108.583 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.708 ' HG3' HG13 ' A' ' 93' ' ' VAL . 8.6 pttt -138.27 167.75 21.19 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.737 0.779 . . . . 1.7 111.863 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -116.22 154.19 30.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.368 -0.833 . . . . 0.72 108.773 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.519 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.85 176.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.535 0.207 . . . . 0.47 111.467 -178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.8 89.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.72 110.867 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -105.7 -26.29 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.234 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.519 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.8 p-10 33.28 40.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.957 1.466 . . . . 1.14 114.957 172.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.5 m -52.97 -62.52 1.6 Allowed 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 120.545 -0.462 . . . . 0.68 110.594 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 108' ' ' PHE . 19.8 ptmt -115.22 12.39 16.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.456 0.539 . . . . 1.47 112.456 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG12 ' NE2' ' A' ' 85' ' ' GLN . 5.0 t -113.7 135.81 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.871 0.693 . . . . 0.39 112.871 -171.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.2 mp -118.31 153.03 34.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.383 0.673 . . . . 0.22 109.794 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.708 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -135.08 117.65 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 121.435 0.636 . . . . 0.24 111.313 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -130.47 130.01 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.18 110.123 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -119.5 145.13 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.06 -0.348 . . . . 0.2 110.06 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.1 p -122.98 147.12 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.146 0.425 . . . . 0.14 112.146 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.567 HD22 ' HB ' ' A' ' 80' ' ' THR . 7.6 p30 -116.18 153.84 31.1 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.523 -0.547 . . . . 1.87 109.523 172.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.576 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.7 t30 95.21 -64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.193 1.397 . . . . 0.75 111.211 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 48.7 Cg_exo -60.13 170.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 CA-C-N 121.227 1.474 . . . . 0.4 110.008 159.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.51 113.66 8.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.306 -0.627 . . . . 1.87 109.306 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -46.76 111.67 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.271 2.647 . . . . 0.57 112.531 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -133.72 145.31 49.75 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.128 -0.942 . . . . 0.33 109.128 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 87.7 m -114.49 109.44 18.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.085 0.469 . . . . 0.28 109.939 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -90.69 125.47 35.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.747 -0.661 . . . . 0.3 110.795 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.69 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -102.27 106.06 16.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 175.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 94' ' ' ILE . 69.3 m-85 -84.41 110.97 19.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.397 -0.594 . . . . 0.34 109.397 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.4 m -120.84 134.29 55.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 0.39 110.347 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.484 ' O ' ' HE3' ' A' ' 90' ' ' LYS . 9.7 t80 -140.71 169.01 18.45 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.645 -0.422 . . . . 0.39 110.162 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.78 -44.57 85.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.158 0.504 . . . . 1.94 109.741 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 41.2 t -69.18 121.87 83.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.262 -0.881 . . . . 1.03 111.108 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.496 ' C ' HH21 ' A' ' 114' ' ' ARG . 17.0 Cg_exo -68.81 3.72 2.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.928 2.419 . . . . 1.09 112.251 174.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.71 -38.88 0.74 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.501 -0.857 . . . . 0.63 112.827 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 8.8 tp10 -50.68 -45.78 58.37 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.268 0.556 . . . . 1.14 112.363 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.47 -42.39 74.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 2.83 110.364 -174.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.41 -32.42 71.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.416 -0.357 . . . . 1.59 111.455 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.9 m -58.48 -42.17 86.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.482 -0.562 . . . . 1.15 109.482 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -66.38 -43.67 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.628 -0.715 . . . . 0.26 109.691 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 6.4 tp-100 -53.35 -50.21 65.51 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.259 -0.882 . . . . 0.74 111.708 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.15 -32.87 61.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.913 -0.315 . . . . 0.47 111.606 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.525 -0.307 . . . . 0.32 111.649 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 118' ' ' GLN . 9.7 tp -63.42 -36.7 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.22 110.186 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 76.0 mt-30 -60.4 -47.47 85.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.191 0.519 . . . . 1.0 109.851 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.7 m -60.49 -41.44 94.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.268 -0.878 . . . . 1.03 110.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -67.13 -45.78 76.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 0.18 110.088 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.491 ' HG2' HG13 ' A' ' 76' ' ' VAL . 50.1 mtp -58.4 -51.79 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.26 111.238 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.79 -18.01 61.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.22 -0.446 . . . . 1.34 111.114 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.58 -51.15 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.286 -0.415 . . . . 0.47 111.063 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 14.4 ptm . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 1.63 111.511 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 20' ' ' VAL . 59.0 ttt180 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.986 -0.375 . . . . 1.88 109.986 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.5 -39.6 76.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 1.78 111.599 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.0 ptpp? -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.156 -0.617 . . . . 1.61 110.905 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.722 ' HA ' HE21 ' A' ' 22' ' ' GLN . 0.7 OUTLIER -72.89 -39.92 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.99 111.145 -177.498 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 16' ' ' ARG . 31.6 m -66.74 -31.7 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.442 -0.344 . . . . 0.21 110.202 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.5 mmm -67.51 -37.75 83.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.821 0.343 . . . . 2.72 110.178 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.722 HE21 ' HA ' ' A' ' 19' ' ' LYS . 55.3 mt-30 -58.6 -45.26 89.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.119 172.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 124' ' ' LEU . 43.3 m-85 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.38 111.199 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 36.0 ttt180 -61.91 -40.81 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.57 110.77 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -60.4 -37.62 81.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 2.87 110.28 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.47 -13.64 57.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.433 -0.803 . . . . 0.28 111.488 -176.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.36 -17.01 17.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.097 -0.501 . . . . 0.21 110.701 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.599 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 86.7 m -80.89 106.15 12.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.175 0.512 . . . . 0.2 110.382 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.599 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.3 mptp? -148.89 169.74 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.79 110.24 -171.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.58 126.91 62.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.177 -1.046 . . . . 1.03 108.177 164.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.44 155.65 7.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.02 -0.363 . . . . 0.26 110.02 -174.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -106.2 120.66 42.42 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.887 0.375 . . . . 0.67 110.247 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.2 mt -88.89 138.25 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.21 111.095 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -140.13 106.55 5.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.84 109.728 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 37' ' ' LEU . 5.2 t -168.98 -168.15 0.82 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.835 -0.346 . . . . 0.34 111.073 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -57.55 -24.76 57.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.25 0.548 . . . . 3.02 110.527 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB3' HG23 ' A' ' 35' ' ' THR . 61.4 tp -64.17 -59.07 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.276 -0.875 . . . . 1.0 109.829 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 175.15 -171.04 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.312 -0.625 . . . . 0.82 109.312 179.07 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 8.5 p -141.06 99.03 3.5 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.167 -0.309 . . . . 0.34 110.167 173.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.1 mt-10 -156.73 167.78 29.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.813 -0.63 . . . . 2.08 109.316 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 10.3 m -82.74 127.19 33.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.837 0.351 . . . . 0.32 110.609 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.5 m -125.76 158.83 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.326 -0.397 . . . . 0.23 110.413 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 27.9 ttpp -101.56 120.29 40.09 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.264 -0.643 . . . . 1.61 109.264 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.41 152.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 0.35 110.103 -173.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.1 t -177.01 -172.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.215 -0.661 . . . . 0.21 109.215 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -137.56 168.04 20.46 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.134 -0.321 . . . . 0.19 110.134 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 p -71.13 178.43 3.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.682 0.253 . . . . 1.15 111.682 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -69.34 -34.03 74.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.515 0.197 . . . . 2.1 111.478 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.86 -0.12 57.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.447 -0.342 . . . . 0.71 110.48 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 70.21 9.56 64.12 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 115.868 -0.605 . . . . 0.43 112.337 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.15 -29.82 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 1.99 110.998 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -121.36 145.74 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 1.49 111.47 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 47.6 t -104.2 120.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.143 -1.058 . . . . 0.34 108.143 168.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.496 ' HG3' HG23 ' A' ' 45' ' ' THR . 10.3 pt20 -126.31 160.74 29.52 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.943 0.401 . . . . 2.12 110.896 -174.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 16.3 p90 -146.85 159.83 43.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.377 0.608 . . . . 0.29 111.238 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.6 m-85 -119.27 102.6 8.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.098 -0.956 . . . . 0.53 109.015 176.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 mtmm . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.004 -0.543 . . . . 1.2 110.537 -174.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.486 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 Cg_exo . . . . . 0 N--CA 1.458 -0.591 0 CA-C-O 120.996 0.332 . . . . 0.59 111.503 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.411 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 23.0 t -92.59 4.79 52.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.524 0.678 . . . . 1.02 109.724 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.82 165.48 19.97 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.286 -1.126 . . . . 0.26 110.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 53' ' ' VAL . . . 170.46 155.6 10.5 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.917 -1.135 . . . . 0.4 113.051 -178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -145.73 153.86 51.14 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.741 -0.466 . . . . 0.21 109.741 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 6.5 Cg_exo -71.98 139.44 32.98 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.452 2.102 . . . . 0.25 112.287 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 49.9 t -65.16 -36.91 78.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.64 -1.164 . . . . 0.3 111.87 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.28 -17.25 60.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.182 0.515 . . . . 1.29 110.698 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.3 mptp? -91.52 -7.62 49.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.194 -0.457 . . . . 1.54 111.496 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 17.0 mt -64.95 124.58 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.461 -0.57 . . . . 0.26 109.461 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.46 ' H ' ' HA ' ' A' ' 96' ' ' VAL . 11.4 t -84.39 -39.03 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.603 -0.439 . . . . 0.28 111.023 -174.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -160.24 136.3 8.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.963 0.411 . . . . 0.88 111.495 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.507 HG21 ' SD ' ' A' ' 125' ' ' MET . 52.3 t -118.96 106.5 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.842 -0.617 . . . . 1.36 109.426 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -124.61 167.54 14.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.496 0.665 . . . . 1.7 111.698 -175.539 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.1 p -108.29 154.16 22.2 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.741 -0.837 . . . . 0.72 108.741 168.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.504 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.84 172.65 1.25 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.282 0.087 . . . . 0.47 111.215 -178.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.83 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 0.72 111.081 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.49 -25.06 10.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 1.59 110.247 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 8.4 p30 33.03 44.53 0.05 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.714 1.376 . . . . 1.14 114.714 173.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.3 m -51.17 -58.0 7.29 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.323 -0.551 . . . . 0.68 110.194 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.519 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 5.0 ptpp? -116.91 4.62 12.88 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.783 1.031 . . . . 1.47 113.783 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.7 t -110.25 135.47 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.701 1.0 . . . . 0.39 113.701 -168.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.8 mp -112.61 152.44 28.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.649 -0.705 . . . . 0.22 110.009 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.7 p -132.18 109.84 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.741 0.781 . . . . 0.24 111.614 178.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.467 HG13 HG13 ' A' ' 82' ' ' VAL . 2.1 mp -121.04 132.49 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.18 109.822 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -124.82 144.21 50.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 0.2 110.589 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.46 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.3 p -120.14 144.96 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.14 110.86 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.402 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 49.8 t-20 -131.77 97.05 4.09 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.827 0.346 . . . . 1.87 111.112 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.643 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.8 t30 165.34 -56.42 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.646 0 O-C-N 124.736 1.273 . . . . 0.75 108.475 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.9 173.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.221 1.948 . . . . 0.4 110.575 157.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.5 pt20 -59.24 126.57 82.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.373 -0.603 . . . . 1.87 109.373 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 52.9 Cg_exo -51.65 111.78 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.242 2.628 . . . . 0.57 112.866 -171.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -140.36 145.93 37.77 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.457 -0.792 . . . . 0.33 109.922 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.2 m -121.37 108.5 13.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.201 -0.666 . . . . 0.28 109.201 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.35 122.12 32.27 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.683 -0.69 . . . . 0.3 110.535 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 28.9 m-80 -104.98 103.79 13.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.563 -0.744 . . . . 0.46 109.721 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.771 -1.104 . . . . 0.34 109.616 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.462 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 23.3 m -119.97 137.21 54.2 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.945 -0.571 . . . . 0.39 110.426 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -140.19 167.64 21.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.054 -0.721 . . . . 0.39 109.054 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 28.8 tttt -65.89 -45.88 80.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.044 0.449 . . . . 1.94 110.22 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.571 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 37.6 t -71.91 112.28 13.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 1.03 111.683 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 109' ' ' LYS . 27.8 Cg_exo -62.49 4.84 0.3 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.596 2.864 . . . . 1.09 112.861 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.63 -39.65 1.57 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.702 -0.761 . . . . 0.63 112.073 172.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.26 -52.04 64.7 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.544 0.572 . . . . 1.14 112.544 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.583 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.02 -45.33 70.77 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.821 -0.352 . . . . 2.83 111.221 -173.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.32 -33.56 74.91 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.753 0.279 . . . . 1.59 111.753 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -39.97 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.941 -0.392 . . . . 1.15 109.941 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.57 -41.5 92.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.401 -0.592 . . . . 0.26 109.401 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.3 tp-100 -53.34 -52.45 59.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.855 -1.066 . . . . 0.74 112.052 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.53 -31.56 62.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.021 0.439 . . . . 0.47 110.975 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.521 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.5 mm100 -69.46 -45.56 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 0.32 111.788 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.7 -44.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 0.22 110.752 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 7.7 pt20 -70.04 -27.98 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.902 -176.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.8 m -68.33 -42.04 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 1.03 110.212 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -63.66 -43.15 97.58 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.554 -0.536 . . . . 0.18 109.554 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 56.4 mtp -55.67 -52.91 62.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.26 110.972 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -65.5 -39.24 91.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.651 -0.704 . . . . 1.34 111.014 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.86 -39.45 62.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.988 0.366 . . . . 0.47 111.988 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.5 ptp . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 112.043 0.386 . . . . 1.63 112.043 -177.483 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.6 ttm180 . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 111.173 0.064 . . . . 1.88 111.173 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.6 mtm -58.47 -40.02 81.58 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.961 -0.296 . . . . 1.78 111.406 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 21' ' ' MET . 18.6 ptpt -77.33 -34.92 55.21 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.489 -0.484 . . . . 1.61 110.796 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.809 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.9 tmtp? -74.47 -32.31 62.54 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.592 0.357 . . . . 0.99 111.368 -172.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.8 m -63.87 -29.62 47.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.401 -0.592 . . . . 0.21 109.401 173.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.708 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 65.6 mtt -57.02 -41.59 78.86 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.415 0.447 . . . . 2.72 110.709 174.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.809 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 1.9 mp0 -56.09 -50.68 70.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.256 0.551 . . . . 1.05 110.916 171.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' HD23 ' A' ' 124' ' ' LEU . 57.5 m-85 -68.8 -28.82 67.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.221 -0.9 . . . . 0.38 111.478 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 31.7 ttt180 -65.84 -36.99 85.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 0.57 110.77 -175.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.17 -31.37 69.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 2.87 110.234 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.71 -17.86 46.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.766 -0.652 . . . . 0.28 110.924 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.73 -14.55 19.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 0.21 111.109 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.623 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.4 m -85.23 104.7 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 0.2 109.967 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.3 mptm? -147.59 167.02 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.504 -0.771 . . . . 0.79 109.73 -175.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 127.87 55.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.542 -0.91 . . . . 1.03 108.542 168.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.84 149.51 14.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.895 0.378 . . . . 0.26 110.211 -174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -101.5 122.05 43.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.946 0.403 . . . . 0.67 110.421 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 20.8 mt -87.82 140.9 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.21 111.056 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 35.0 mtmt -143.43 106.21 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.84 109.919 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.6 t -169.19 -165.84 0.57 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.283 -0.266 . . . . 0.34 110.283 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.74 -19.56 65.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.483 0.659 . . . . 3.02 109.888 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 34.1 tp -63.96 -65.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.329 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.0 p90 -179.24 -174.88 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.589 -0.732 . . . . 0.82 109.774 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.7 p -129.46 99.89 5.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.269 -0.641 . . . . 0.34 109.269 170.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.2 159.08 43.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.59 . . . . 2.08 109.654 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 25.4 m -87.5 123.38 32.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.908 0.385 . . . . 0.32 110.003 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.86 159.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.938 -0.574 . . . . 0.23 110.006 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -103.82 122.37 44.99 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.955 -0.758 . . . . 1.61 108.955 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.53 155.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.738 -0.467 . . . . 0.35 109.738 -174.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -174.05 -179.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.273 -0.64 . . . . 0.21 109.273 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 17.3 p -124.36 170.91 10.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.463 -0.569 . . . . 0.19 109.463 173.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -71.86 -178.8 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.017 -0.273 . . . . 1.15 110.979 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.07 -28.51 65.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 2.1 110.347 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.481 ' C ' HG21 ' A' ' 20' ' ' VAL . 15.1 m-20 -94.09 0.17 55.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.71 110.228 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 74.53 0.15 57.46 Favored Glycine 0 C--O 1.222 -0.608 0 C-N-CA 121.052 -0.594 . . . . 0.43 112.67 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.38 -16.83 58.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.677 0.621 . . . . 1.99 112.677 -170.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -125.62 144.73 50.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.538 0.209 . . . . 1.49 110.905 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 76' ' ' VAL . 61.6 t -106.13 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.517 -0.92 . . . . 0.34 108.517 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -121.75 160.92 23.55 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.75 0.31 . . . . 2.12 110.26 -175.236 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p90 -140.52 141.72 35.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.747 0.784 . . . . 0.29 111.845 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -102.15 101.14 11.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.759 -1.11 . . . . 0.53 108.554 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 109.47 -0.567 . . . . 1.2 109.47 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HG2' ' OE1' ' A' ' 54' ' ' GLN . 7.3 Cg_exo . . . . . 0 N--CA 1.454 -0.804 0 N-CA-C 110.074 -0.779 . . . . 0.59 110.074 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -92.35 9.7 32.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.383 0.611 . . . . 1.02 110.141 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.04 167.22 30.2 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.397 -0.82 . . . . 0.26 111.087 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.55 170.36 32.25 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.686 -0.768 . . . . 0.4 112.236 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.712 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -155.9 155.24 29.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.114 -0.328 . . . . 0.21 110.114 177.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.535 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 13.6 Cg_exo -68.29 139.41 45.72 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.796 2.331 . . . . 0.25 112.882 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 50' ' ' GLY . 47.4 t -64.91 -37.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.988 -1.005 . . . . 0.3 111.592 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.75 -20.87 64.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 1.29 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 2.6 mptp? -94.15 -7.15 43.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 1.54 111.92 -174.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.712 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.2 mt -64.91 116.23 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.687 -0.486 . . . . 0.26 109.687 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.568 ' HB ' HD22 ' A' ' 97' ' ' ASN . 11.6 t -79.88 -36.15 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.779 -0.368 . . . . 0.28 111.206 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.0 m -157.77 136.04 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.016 0.436 . . . . 0.88 111.502 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.7 t -121.9 107.43 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.669 -0.863 . . . . 1.36 108.669 173.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -130.92 165.57 22.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.669 0.747 . . . . 1.7 110.738 -177.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 p -109.01 153.97 22.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.3 -0.864 . . . . 0.72 108.879 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.6 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -62.13 179.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.799 0.296 . . . . 0.47 111.799 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.22 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.852 0.358 . . . . 0.72 111.351 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.35 -22.01 8.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.059 -0.719 . . . . 1.59 109.059 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.6 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.4 p-10 41.17 48.4 3.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.065 -0.971 . . . . 1.14 113.191 172.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -47.41 -67.47 0.27 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.68 110.128 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.631 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 5.1 ptpp? -115.15 6.75 15.19 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.128 0.418 . . . . 1.47 112.128 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.1 t -107.91 124.16 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 113.298 0.851 . . . . 0.39 113.298 -166.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 9.0 mp -111.6 152.11 27.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 0.22 110.107 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.477 ' C ' HD12 ' A' ' 94' ' ' ILE . 1.9 p -133.2 110.87 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.543 0.687 . . . . 0.24 111.536 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -124.7 131.63 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.654 . . . . 0.18 110.587 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.4 m -124.03 146.19 48.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.635 0.255 . . . . 0.2 110.77 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 p -120.58 146.48 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 111.778 0.288 . . . . 0.14 111.778 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.568 HD22 ' HB ' ' A' ' 80' ' ' THR . 6.5 p30 -117.58 150.26 39.29 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.731 -0.47 . . . . 1.87 109.731 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.0 t30 94.18 -65.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.98 1.312 . . . . 0.75 111.381 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 52.4 Cg_exo -58.73 171.65 1.92 Allowed 'Trans proline' 0 C--N 1.366 1.456 0 CA-C-N 121.337 1.513 . . . . 0.4 110.755 163.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.43 116.9 19.95 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.63 -0.507 . . . . 1.87 109.63 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.74 120.25 5.71 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.508 2.805 . . . . 0.57 113.015 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.7 m -144.68 141.96 29.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.882 -1.054 . . . . 0.33 109.658 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 60.4 m -119.74 108.85 14.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.331 0.586 . . . . 0.28 109.995 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -91.61 126.2 36.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.758 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.643 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.0 106.11 16.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.212 -0.662 . . . . 0.46 109.212 175.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 94' ' ' ILE . 58.9 m-85 -84.74 111.53 19.68 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 0.34 109.343 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.525 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 35.8 m -120.31 137.43 54.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.778 -0.646 . . . . 0.39 110.719 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -140.81 174.03 10.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.747 -0.464 . . . . 0.39 109.747 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -65.94 -53.19 42.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.988 0.899 . . . . 1.94 109.075 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 15.9 m -75.27 110.1 9.4 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 113.449 -1.705 . . . . 1.03 111.191 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.2 5.94 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.554 2.836 . . . . 1.09 113.066 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.89 -32.09 3.18 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.834 -0.698 . . . . 0.63 111.646 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 10.4 tp10 -60.58 -51.76 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.28 0.474 . . . . 1.14 112.28 -171.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.635 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -60.01 -40.98 91.1 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.892 0.377 . . . . 2.83 110.711 -177.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.592 ' H ' ' NH1' ' A' ' 114' ' ' ARG . 37.2 mt-10 -68.52 -35.05 76.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.467 -0.333 . . . . 1.59 111.808 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -34.42 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.705 -0.48 . . . . 1.15 109.705 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -72.78 -47.63 45.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.26 109.551 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.4 tp-100 -50.98 -51.11 56.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.676 -1.147 . . . . 0.74 112.153 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.59 -34.19 67.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.949 0.404 . . . . 0.47 111.326 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.491 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.3 mm100 -73.72 -40.36 63.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.32 112.183 -174.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.13 -38.17 81.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.22 110.568 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.14 -41.34 99.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 1.0 110.338 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.7 m -61.99 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 1.03 110.621 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -65.43 -46.36 80.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.47 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 46.4 mtp -56.32 -52.51 64.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.26 111.291 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -73.4 -17.58 61.25 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.847 -0.615 . . . . 1.34 111.658 -174.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -71.0 -46.4 62.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.989 0.423 . . . . 0.47 111.002 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.312 -0.404 . . . . 1.63 111.549 -177.119 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.8 ttm180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 110.337 -0.246 . . . . 1.88 110.337 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.42 ' HA ' HG22 ' A' ' 20' ' ' VAL . 55.1 mtt -56.07 -35.7 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.833 0.825 . . . . 1.78 110.028 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.65 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 22.0 tptt -72.64 -38.72 67.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.416 -1.266 . . . . 1.61 111.368 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.698 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 4.7 tmtp? -76.6 -41.05 47.56 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.071 -0.393 . . . . 0.99 111.216 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 16' ' ' ARG . 21.2 m -66.58 -30.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.817 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptm -67.63 -31.61 71.74 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.459 . . . . 2.72 109.804 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.698 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 32.7 mt-30 -66.05 -49.67 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 1.05 108.978 174.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.695 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 37.4 m-85 -64.2 -36.33 83.72 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.38 111.043 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 38.1 ttt180 -57.31 -44.29 84.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.57 110.082 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.17 -38.14 89.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 2.87 110.756 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' O ' ' HE2' ' A' ' 29' ' ' LYS . . . -77.18 -16.4 59.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.28 111.395 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.17 -18.28 18.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.07 -0.514 . . . . 0.21 110.773 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.9 m -75.95 104.85 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.47 . . . . 0.2 110.066 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.4 mptp? -146.26 165.4 29.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.449 -0.796 . . . . 0.79 109.568 -174.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -103.37 129.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 107.994 -1.113 . . . . 1.03 107.994 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.517 ' CG2' HH22 ' A' ' 114' ' ' ARG . 2.2 t -150.24 148.91 14.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.279 -0.419 . . . . 0.26 110.96 -168.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.81 117.1 33.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.862 -0.422 . . . . 0.67 109.862 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 39' ' ' SER . 19.7 mt -85.99 142.1 29.02 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.92 -0.582 . . . . 0.21 110.676 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.8 mtmt -142.48 105.43 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.84 110.064 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.6 t -169.01 -173.81 1.89 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.29 -0.414 . . . . 0.34 109.938 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -66.63 -9.76 39.05 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.128 0.49 . . . . 3.02 110.938 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HB3' HG23 ' A' ' 35' ' ' THR . 24.6 tp -65.73 -60.79 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 169.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 13.0 p90 178.64 178.19 0.43 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.023 -0.99 . . . . 0.82 109.726 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.9 p -126.57 101.33 6.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.315 -0.624 . . . . 0.34 109.315 170.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -155.18 163.25 40.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.934 -0.575 . . . . 2.08 110.511 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.0 m -87.84 122.11 31.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.945 -0.57 . . . . 0.32 109.816 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.5 174.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.23 109.697 -175.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -120.26 126.17 49.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.899 -0.778 . . . . 1.61 108.899 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.64 158.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 110.359 -0.237 . . . . 0.35 110.359 -172.393 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 54' ' ' GLN . 14.9 t 177.21 -171.43 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.571 -0.9 . . . . 0.21 108.571 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 28.4 p -136.04 167.69 20.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.643 -0.503 . . . . 0.19 109.643 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -71.34 171.69 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.443 -0.206 . . . . 1.15 110.443 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -63.44 -36.7 84.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.41 0.522 . . . . 2.1 112.41 -172.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.45 5.68 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.634 0.254 . . . . 0.71 111.369 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.91 70.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.43 112.595 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.63 -33.61 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.391 . . . . 1.99 110.91 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -120.99 148.29 44.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 1.49 111.395 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 76' ' ' VAL . 48.4 t -101.53 119.97 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.85 -1.167 . . . . 0.34 107.85 166.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 45' ' ' THR . 3.4 pt20 -126.62 156.11 41.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.667 0.27 . . . . 2.12 110.552 -171.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -141.92 149.03 39.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.622 0.725 . . . . 0.29 112.038 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 70' ' ' PRO . 58.7 m-85 -108.41 102.54 11.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.845 -1.07 . . . . 0.53 109.241 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' HE2' ' OG ' ' A' ' 71' ' ' SER . 46.6 mtmt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 1.2 111.126 -175.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' CB ' ' HB2' ' A' ' 54' ' ' GLN . 60.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 CA-C-O 120.906 0.294 . . . . 0.59 112.217 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 57' ' ' LYS . 4.8 t -109.34 23.02 15.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.82 0.819 . . . . 1.02 109.399 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.6 154.36 8.08 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.946 -1.024 . . . . 0.26 110.612 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.86 165.24 29.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.247 -0.978 . . . . 0.4 112.995 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -151.7 153.4 31.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.057 -0.349 . . . . 0.21 110.057 178.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.29 136.73 38.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.865 2.377 . . . . 0.25 112.565 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 53' ' ' VAL . 84.3 t -65.03 -38.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.049 -0.978 . . . . 0.3 111.668 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.03 -13.06 62.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.396 0.617 . . . . 1.29 110.665 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -100.08 -5.99 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 1.54 111.72 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 13.8 mt -64.86 125.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.647 -0.501 . . . . 0.26 109.647 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.7 t -87.09 -34.97 18.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.698 -0.401 . . . . 0.28 110.933 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.49 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 73.8 m -160.22 131.09 5.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.887 0.375 . . . . 0.88 111.711 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.511 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.1 t -111.08 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.047 -1.094 . . . . 1.36 108.047 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -132.32 166.82 21.06 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.482 -0.781 . . . . 1.7 110.344 -171.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -114.73 153.99 29.3 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.504 -0.554 . . . . 0.72 109.504 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.577 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.72 -174.39 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.279 0.474 . . . . 0.47 112.279 -178.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.24 70.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.068 -0.253 . . . . 0.72 110.934 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.03 -25.64 11.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.638 -0.505 . . . . 1.59 109.638 176.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.577 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.9 p-10 32.75 43.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.114 1.524 . . . . 1.14 115.114 170.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.1 m -56.98 -65.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.176 -0.61 . . . . 0.68 109.557 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 16.0 ptpt -113.76 12.5 18.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.316 -0.402 . . . . 1.47 111.211 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.504 HG12 ' NE2' ' A' ' 85' ' ' GLN . 3.3 t -109.08 105.29 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.39 112.231 -170.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 114' ' ' ARG . 5.0 mp -98.38 151.29 20.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.909 -0.587 . . . . 0.22 110.493 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.591 HG23 ' CG2' ' A' ' 103' ' ' THR . 1.8 p -133.02 109.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.779 0.799 . . . . 0.24 110.802 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.1 mp -120.04 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.572 -0.74 . . . . 0.18 110.201 -177.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 143.52 46.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.848 0.356 . . . . 0.2 110.249 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.8 p -118.67 142.64 32.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.243 -0.435 . . . . 0.14 110.631 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.481 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 19.4 t-20 -131.28 95.78 3.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.178 0.513 . . . . 1.87 111.276 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.628 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.4 t30 168.22 -54.46 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.045 -1.434 . . . . 0.75 107.804 172.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 31.9 Cg_exo -60.79 172.95 2.49 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.837 1.692 . . . . 0.4 109.872 153.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 pt20 -60.5 130.04 89.76 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.003 -0.74 . . . . 1.87 109.003 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 51.8 Cg_exo -53.8 111.68 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.634 2.223 . . . . 0.57 112.417 -173.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 m -137.37 139.49 40.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.257 -0.883 . . . . 0.33 109.643 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.591 ' CG2' HG23 ' A' ' 93' ' ' VAL . 65.7 m -115.76 109.33 17.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.285 0.564 . . . . 0.28 110.523 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -90.33 122.54 33.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.656 -0.702 . . . . 0.3 110.469 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.99 105.27 15.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.621 -0.511 . . . . 0.46 109.621 177.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -84.58 109.68 18.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.498 -0.556 . . . . 0.34 109.498 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.551 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 8.6 m -121.02 136.01 55.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.831 -0.622 . . . . 0.39 111.099 -175.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 114' ' ' ARG . 8.6 t80 -141.73 172.02 13.26 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 0.39 109.86 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 5.7 tmmm? -66.17 -28.82 69.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.411 0.624 . . . . 1.94 109.59 175.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 34.0 t -96.49 113.12 62.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 1.03 110.067 -174.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 33.0 Cg_exo -61.7 -35.87 77.7 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.559 2.173 . . . . 1.09 111.453 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.31 76.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.63 111.843 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 5.7 tp10 -63.14 -51.36 66.76 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.404 0.621 . . . . 1.14 110.008 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.655 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -70.83 -37.03 73.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.379 -0.828 . . . . 2.83 111.563 -179.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 54.1 mt-10 -59.25 -43.99 92.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.731 -0.387 . . . . 1.59 110.73 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.2 m -67.07 -35.2 79.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.958 -0.564 . . . . 1.15 110.791 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.25 -46.23 71.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.26 109.86 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.519 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.2 tp-100 -53.35 -47.09 69.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.908 -1.042 . . . . 0.74 111.913 -178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.41 -37.77 60.27 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.765 0.283 . . . . 0.47 111.765 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.434 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.9 mm100 -63.09 -47.57 82.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.778 0.323 . . . . 0.32 111.863 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.07 -38.4 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 0.22 111.136 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.401 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.6 mt-30 -65.21 -38.33 90.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.668 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 m -65.97 -37.24 85.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 1.03 110.621 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -66.57 -43.1 85.92 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.619 -0.511 . . . . 0.18 109.619 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 82' ' ' VAL . 44.7 mtp -59.78 -50.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.26 111.013 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -69.23 -18.24 63.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.934 -0.575 . . . . 1.34 111.2 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 72.4 t80 -71.66 -52.23 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.025 -0.534 . . . . 0.47 111.531 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 1.63 111.914 -172.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.7 ttt180 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 110.407 -0.219 . . . . 1.88 110.407 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -56.75 -41.79 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.405 -0.361 . . . . 1.78 111.26 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.7 ptpt -74.53 -34.7 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.448 -0.501 . . . . 1.61 110.2 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.618 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.7 tmtp? -74.27 -38.5 63.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.99 111.392 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.4 m -66.51 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 110.286 -0.264 . . . . 0.21 110.286 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.6 mmm -64.88 -31.92 73.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.761 0.315 . . . . 2.72 110.541 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.618 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.4 mt-30 -66.62 -46.65 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.34 -0.615 . . . . 1.05 109.34 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CD1' HD23 ' A' ' 124' ' ' LEU . 54.0 m-85 -65.83 -36.55 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.405 -0.816 . . . . 0.38 110.489 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 39.6 ttt180 -57.52 -40.24 78.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.098 -0.956 . . . . 0.57 111.274 -177.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -65.75 -35.99 82.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.333 -0.394 . . . . 2.87 111.174 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -79.53 -13.75 59.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.284 0.564 . . . . 0.28 110.744 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.28 -12.66 20.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.342 -0.844 . . . . 0.21 110.994 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.707 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 78.1 m -95.36 103.95 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.2 111.404 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.8 173.99 15.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.294 -0.866 . . . . 0.79 112.991 -176.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -98.07 124.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.064 -0.971 . . . . 1.03 108.715 171.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.43 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.2 t -149.05 148.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.77 -0.456 . . . . 0.26 109.77 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.4 tmtp? -102.6 118.49 36.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.105 0.478 . . . . 0.67 110.571 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 39' ' ' SER . 25.6 mt -85.72 141.96 29.34 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.778 -0.647 . . . . 0.21 110.677 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.5 mtmt -143.69 106.29 4.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.615 -0.721 . . . . 0.84 109.976 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.4 t -168.77 -166.89 0.7 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.786 -0.45 . . . . 0.34 109.786 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -68.47 -13.01 62.01 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.571 0.7 . . . . 3.02 110.102 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 35' ' ' THR . 19.3 tp -64.92 -59.93 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.007 -0.997 . . . . 1.0 108.913 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.2 p90 174.81 -178.49 0.1 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.052 -0.976 . . . . 0.82 109.207 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 24.8 p -130.63 100.49 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.425 -0.583 . . . . 0.34 109.425 171.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 10.3 mm-40 -155.22 159.24 39.92 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.961 -0.563 . . . . 2.08 109.748 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 87.3 m -83.02 123.74 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.994 0.426 . . . . 0.32 109.919 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.66 156.45 35.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.842 -0.617 . . . . 0.23 109.823 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 37.2 ttpt -101.06 123.47 45.29 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.672 -0.492 . . . . 1.61 109.672 173.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.0 158.29 4.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.762 -174.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -176.36 -172.02 0.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.698 -0.853 . . . . 0.21 108.698 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -142.83 167.73 21.39 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.975 -0.29 . . . . 0.19 110.564 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.544 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 14.1 t -58.1 158.49 6.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 1.15 111.382 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -65.33 -20.94 66.63 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.66 -0.7 . . . . 2.1 111.02 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -108.23 9.01 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.71 110.538 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.17 23.94 68.41 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.43 112.727 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.77 -26.84 29.31 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.651 -0.323 . . . . 1.99 111.666 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' H ' ' HB3' ' A' ' 47' ' ' SER . 41.9 mt-10 -132.87 156.02 47.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.436 -0.347 . . . . 1.49 111.393 -175.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.8 t -111.43 122.95 66.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.266 -1.013 . . . . 0.34 108.266 168.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 2.6 mm-40 -118.39 161.52 19.82 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.348 -0.242 . . . . 2.12 110.348 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 11.4 p90 -148.34 149.36 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.551 0.691 . . . . 0.29 111.711 172.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 68.8 m-85 -114.77 114.13 25.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.008 -0.996 . . . . 0.53 109.205 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.2 111.46 -171.586 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 9.6 Cg_exo . . . . . 0 N--CA 1.462 -0.379 0 CA-C-O 121.008 0.337 . . . . 0.59 112.059 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -93.98 3.27 55.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.567 0.699 . . . . 1.02 109.24 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.14 160.72 22.86 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 110.163 -1.175 . . . . 0.26 110.163 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.19 168.36 27.22 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.235 -0.983 . . . . 0.4 112.732 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -158.37 154.58 23.92 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.89 -0.411 . . . . 0.21 109.89 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.492 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.1 Cg_exo -68.09 138.66 44.33 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.693 2.262 . . . . 0.25 112.315 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.484 HG22 HG23 ' A' ' 53' ' ' VAL . 70.4 t -64.79 -37.52 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.022 -0.99 . . . . 0.3 111.034 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.84 -22.83 64.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.767 -0.651 . . . . 1.29 110.714 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -87.69 -8.43 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 1.54 111.895 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.631 HG12 ' CE2' ' A' ' 74' ' ' PHE . 27.1 mt -63.39 123.0 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.822 -0.436 . . . . 0.26 109.822 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.46 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 15.2 t -87.45 -33.96 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.62 -0.432 . . . . 0.28 110.904 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m -158.93 135.41 9.28 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.341 . . . . 0.88 111.626 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.456 HG21 ' SD ' ' A' ' 125' ' ' MET . 79.0 t -118.67 107.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.178 -1.045 . . . . 1.36 108.178 171.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.745 ' HG3' HG13 ' A' ' 93' ' ' VAL . 13.2 pttt -132.2 168.3 18.28 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.348 -0.842 . . . . 1.7 111.085 -172.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.5 p -122.94 154.3 38.56 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.719 -0.673 . . . . 0.72 109.474 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.29 -176.02 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.961 0.726 . . . . 0.47 112.961 -174.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.96 90.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 0.72 111.077 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.14 -24.57 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 1.59 109.118 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.6 p-10 37.21 51.69 1.1 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.447 -1.252 . . . . 1.14 113.172 174.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.1 m -52.38 -66.83 0.32 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.594 -0.521 . . . . 0.68 109.594 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 15.4 ptpt -115.01 1.44 13.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.939 -0.573 . . . . 1.47 112.394 173.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.507 HG12 ' NE2' ' A' ' 85' ' ' GLN . 12.4 t -99.46 123.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.879 0.696 . . . . 0.39 112.879 -170.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.5 mp -106.2 151.83 24.26 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.22 110.022 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.745 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -134.32 111.94 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.654 0.74 . . . . 0.24 110.711 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 93' ' ' VAL . 1.9 mp -123.01 131.8 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.138 -0.483 . . . . 0.18 109.786 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -123.66 142.64 50.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.987 0.422 . . . . 0.2 110.499 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' A' ' 99' ' ' PRO . 2.2 p -118.76 144.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.128 -0.487 . . . . 0.14 110.213 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 44.6 t-20 -131.67 96.65 4.01 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.459 -0.497 . . . . 1.87 111.587 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 163.06 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.149 1.38 . . . . 0.75 108.504 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 49.7 Cg_exo -59.07 171.0 2.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.907 1.738 . . . . 0.4 110.302 159.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.18 116.22 18.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.882 -0.414 . . . . 1.87 109.882 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.28 116.35 0.46 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.187 3.258 . . . . 0.57 114.014 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -145.93 135.28 22.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.437 -0.801 . . . . 0.33 109.584 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 93' ' ' VAL . 86.3 m -112.08 113.3 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.193 0.52 . . . . 0.28 110.103 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -93.57 126.64 38.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.605 -0.725 . . . . 0.3 111.095 -172.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -100.97 103.48 14.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.277 -0.638 . . . . 0.46 109.277 174.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.43 ' HD1' HG11 ' A' ' 31' ' ' VAL . 89.0 m-85 -84.94 108.95 17.82 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.744 -0.835 . . . . 0.34 108.744 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.407 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 26.8 m -122.83 139.02 54.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.259 -0.428 . . . . 0.39 110.921 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -139.5 167.73 21.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.211 -0.663 . . . . 0.39 109.211 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.473 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -66.18 -42.37 88.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.944 -0.761 . . . . 1.94 108.944 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.457 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 10.9 t -81.01 112.45 32.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.225 -0.898 . . . . 1.03 110.278 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.522 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 9.9 Cg_endo -55.28 -41.15 81.2 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.496 2.131 . . . . 1.09 111.726 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.1 72.47 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.836 -0.697 . . . . 0.63 112.471 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.2 tp10 -66.84 -53.1 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.392 . . . . 1.14 110.725 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.589 ' NH1' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -74.31 -28.85 61.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.83 111.203 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.589 ' HG2' ' NH1' ' A' ' 114' ' ' ARG . 51.8 mm-40 -54.04 -48.47 70.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.563 0.22 . . . . 1.59 110.911 172.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 42.0 m -57.87 -32.62 67.85 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.825 -0.625 . . . . 1.15 110.945 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.63 -52.72 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.867 0.365 . . . . 0.26 110.604 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.454 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.6 tp-100 -51.82 -49.03 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.35 -0.841 . . . . 0.74 112.12 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.8 pt-20 -74.58 -39.44 62.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.777 0.322 . . . . 0.47 111.814 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 116' ' ' SER . 7.4 mm100 -73.42 -37.91 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.645 0.609 . . . . 0.32 112.645 -172.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.85 -38.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.663 0.268 . . . . 0.22 110.393 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -63.81 -42.56 97.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.383 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 m -63.05 -35.64 80.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.03 110.74 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.499 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -70.99 -43.95 66.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.18 110.114 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.456 ' SD ' HG21 ' A' ' 82' ' ' VAL . 48.2 mtp -57.6 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.26 111.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.85 -19.79 62.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.938 -0.573 . . . . 1.34 110.751 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.93 -55.85 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.301 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.2 ppp? . . . . . 0 C--N 1.324 -0.512 0 C-N-CA 120.816 -0.354 . . . . 1.63 111.366 -174.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.6 ttm180 . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 110.646 -0.131 . . . . 1.88 110.646 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.489 ' O ' ' HG2' ' A' ' 21' ' ' MET . 64.1 mtt -57.08 -38.94 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.732 0.301 . . . . 1.78 110.973 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.9 ptpt -74.58 -38.52 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.458 -0.497 . . . . 1.61 110.544 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.682 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.5 tmtp? -69.4 -40.52 77.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.99 110.629 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 16' ' ' ARG . 24.7 m -65.44 -31.46 53.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.21 110.458 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' MET . 24.2 mmt -65.57 -34.67 78.78 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.707 0.289 . . . . 2.72 110.292 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.674 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.6 mt-30 -64.98 -46.87 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.163 -0.68 . . . . 1.05 109.163 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 45.8 m-85 -64.12 -38.92 92.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.484 -0.78 . . . . 0.38 110.501 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 34.1 ttt180 -57.71 -40.85 80.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.149 -176.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.8 -34.09 76.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.017 0.437 . . . . 2.87 111.013 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -80.28 -13.17 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.329 0.585 . . . . 0.28 110.559 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.52 -13.55 19.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.502 -0.772 . . . . 0.21 110.902 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 60.7 m -91.19 104.63 17.16 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.2 111.403 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.55 173.37 16.4 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.841 -1.072 . . . . 0.79 111.545 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 m -98.95 124.2 52.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.419 -0.956 . . . . 1.03 108.419 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -146.42 148.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.62 -0.718 . . . . 0.26 109.753 -173.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.6 tmtt? -102.45 118.16 36.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.119 0.485 . . . . 0.67 110.481 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' ' HA ' ' A' ' 39' ' ' SER . 26.8 mt -85.9 143.87 27.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.21 110.687 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 30.0 mtmt -144.47 106.65 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.896 -0.593 . . . . 0.84 110.083 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.4 t -169.29 -165.81 0.56 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.956 -0.298 . . . . 0.34 110.515 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -63.08 -18.92 63.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.542 0.687 . . . . 3.02 110.084 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.65 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 37.4 tp -64.29 -64.86 0.77 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.658 -1.156 . . . . 1.0 109.472 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 10.2 p90 -179.83 -173.23 0.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.381 -0.827 . . . . 0.82 109.032 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.713 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 9.4 p -136.81 99.42 4.03 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.81 -0.441 . . . . 0.34 109.81 172.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 72.4 mm-40 -152.03 157.05 41.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 2.08 109.672 -175.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m -81.84 115.69 21.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.189 0.519 . . . . 0.32 110.168 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.14 161.4 15.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.741 -0.663 . . . . 0.23 109.866 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -102.45 122.97 45.36 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.164 -0.68 . . . . 1.61 109.164 172.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.757 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.49 159.1 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.371 -0.377 . . . . 0.35 110.546 -174.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 54' ' ' GLN . 13.2 t -176.53 -169.72 0.3 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.248 -1.019 . . . . 0.21 108.248 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 31.8 p -140.94 174.4 10.55 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.805 -0.358 . . . . 0.19 110.407 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 t -62.16 163.42 8.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.201 0.524 . . . . 1.15 110.706 176.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -73.6 -15.89 61.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.559 -0.746 . . . . 2.1 110.292 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -104.13 0.47 29.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.71 109.708 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' O ' HD11 ' A' ' 124' ' ' LEU . . . 71.63 6.73 63.38 Favored Glycine 0 C--O 1.222 -0.648 0 CA-C-N 115.645 -0.707 . . . . 0.43 112.845 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 46.6 mt-10 -82.56 -7.58 59.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.328 0.492 . . . . 1.99 112.328 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 47' ' ' SER . 24.4 mt-10 -142.95 147.84 35.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.692 -0.231 . . . . 1.49 110.937 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.4 t -100.55 138.54 24.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.877 -1.157 . . . . 0.34 107.877 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . 2.7 pt20 -148.28 150.08 33.02 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.953 -0.299 . . . . 2.12 110.269 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -141.85 162.02 36.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.403 0.621 . . . . 0.29 111.551 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 38.2 m-85 -118.89 126.3 51.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.863 -1.062 . . . . 0.53 108.914 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.189 0.518 . . . . 1.2 111.683 -171.211 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 12.0 Cg_exo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 121.327 0.47 . . . . 0.59 113.127 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -91.44 -10.11 42.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.323 -0.853 . . . . 1.02 110.302 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 178.8 47.6 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.066 -0.814 . . . . 0.26 111.066 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.24 -176.26 27.15 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.384 -0.912 . . . . 0.4 112.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 79' ' ' ILE . 1.7 p90 -167.07 157.25 10.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 122.352 0.261 . . . . 0.21 110.35 -175.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.9 137.2 40.76 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.25 112.681 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 125' ' ' MET . 55.7 t -66.76 -35.26 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.245 -0.889 . . . . 0.3 111.549 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.8 -17.95 64.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.188 0.518 . . . . 1.29 110.746 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.37 -5.75 42.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 1.54 111.951 -176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.619 HG12 ' CE2' ' A' ' 74' ' ' PHE . 12.0 mt -64.09 116.54 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.437 -0.579 . . . . 0.26 109.437 175.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 9.2 t -82.75 -33.51 27.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.648 -0.421 . . . . 0.28 110.905 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 m -159.89 131.53 6.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.86 0.362 . . . . 0.88 111.573 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' SD ' ' A' ' 125' ' ' MET . 74.1 t -110.28 107.82 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.449 -0.945 . . . . 1.36 108.449 171.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.601 ' HB2' HG13 ' A' ' 93' ' ' VAL . 8.5 mtpp -126.95 166.75 16.94 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.35 -0.841 . . . . 1.7 111.298 -171.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 p -119.12 154.57 33.03 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.639 -0.874 . . . . 0.72 108.639 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -58.86 177.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.334 0.494 . . . . 0.47 112.334 -175.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.65 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.59 0.233 . . . . 0.72 111.176 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.67 -22.96 10.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.566 -0.531 . . . . 1.59 109.566 174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.5 p30 37.5 55.37 1.44 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.591 -1.186 . . . . 1.14 113.644 171.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.1 m -56.73 -67.07 0.34 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.454 -0.498 . . . . 0.68 109.901 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' THR . 18.7 ptmt -114.44 4.48 15.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.244 -0.434 . . . . 1.47 112.112 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG12 ' NE2' ' A' ' 85' ' ' GLN . 3.0 t -103.6 134.6 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.67 0.618 . . . . 0.39 112.67 -170.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.9 mp -114.95 152.22 32.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.274 0.63 . . . . 0.22 109.833 174.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.4 p -134.05 109.43 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.577 0.703 . . . . 0.24 111.018 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.458 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.0 mp -120.93 125.09 73.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.18 110.404 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 m -114.8 142.5 46.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 0.2 110.536 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.559 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.2 p -120.13 142.7 34.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.14 110.972 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.515 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 27.0 t-20 -117.96 140.44 49.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.328 -0.396 . . . . 1.87 110.428 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 9.2 t30 100.71 -58.34 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.58 1.552 . . . . 0.75 111.432 -177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 51.8 Cg_exo -58.69 170.85 2.3 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.482 1.455 . . . . 0.4 111.142 162.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -60.71 115.78 15.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.38 -0.6 . . . . 1.87 109.38 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.72 112.78 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.411 2.741 . . . . 0.57 113.108 -172.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -143.79 140.06 29.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.295 -0.866 . . . . 0.33 109.121 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 93' ' ' VAL . 97.7 m -116.43 108.64 16.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.307 0.575 . . . . 0.28 109.878 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -89.47 123.18 33.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.596 -0.729 . . . . 0.3 110.971 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.573 HD22 ' N ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -100.07 103.67 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.554 -0.535 . . . . 0.46 109.554 177.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.414 ' HD1' HG11 ' A' ' 31' ' ' VAL . 92.9 m-85 -85.0 109.82 18.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.118 -0.697 . . . . 0.34 109.118 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.5 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 28.4 m -122.18 138.01 54.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.863 -0.608 . . . . 0.39 110.728 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -141.25 165.22 28.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.868 -0.419 . . . . 0.39 109.868 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.91 -25.78 67.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.099 0.476 . . . . 1.94 110.201 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.44 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 23.2 t -98.72 109.81 54.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.669 . . . . 1.03 110.153 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' SER . 6.7 Cg_endo -50.87 -39.61 58.36 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.805 2.337 . . . . 1.09 111.886 172.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.95 81.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.542 -0.837 . . . . 0.63 112.41 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.0 tp10 -63.09 -52.61 61.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 1.14 111.46 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.585 ' NH1' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -72.31 -36.02 68.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.58 -0.448 . . . . 2.83 110.867 -176.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.585 ' HG3' ' NH1' ' A' ' 114' ' ' ARG . 23.7 mt-10 -58.02 -41.46 83.19 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.846 -0.342 . . . . 1.59 110.734 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 m -59.01 -33.79 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 120.852 0.358 . . . . 1.15 110.386 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.545 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -72.1 -49.31 37.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 0.26 109.853 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.453 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.9 tp-100 -51.26 -50.25 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.759 -1.109 . . . . 0.74 112.14 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.62 -41.61 60.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.806 0.336 . . . . 0.47 111.731 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 6.4 mm100 -68.61 -38.49 80.64 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.309 0.485 . . . . 0.32 112.309 -173.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.5 tp -62.74 -37.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.035 -0.266 . . . . 0.22 110.438 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.448 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.8 mt-30 -68.24 -38.84 82.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.43 . . . . 1.0 110.428 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.8 t -62.23 -37.98 87.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.65 -0.704 . . . . 1.03 110.069 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.5 tm? -68.38 -47.97 65.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.296 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.469 ' HG2' HD12 ' A' ' 79' ' ' ILE . 46.1 mtp -53.35 -52.51 58.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.491 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.75 -26.76 60.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.122 -0.49 . . . . 1.34 111.268 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.61 -42.42 92.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.832 0.348 . . . . 0.47 110.234 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 9.8 ptm . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.445 -0.343 . . . . 1.63 111.039 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.5 ttm180 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 110.288 -0.264 . . . . 1.88 110.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.8 mtp -56.02 -39.11 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.608 0.242 . . . . 1.78 111.319 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 12.4 ptpt -75.77 -34.02 60.23 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.416 -0.513 . . . . 1.61 110.673 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tmtp? -75.44 -39.56 58.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.725 0.297 . . . . 0.99 111.323 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG21 ' C ' ' A' ' 49' ' ' ASP . 33.1 m -65.34 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.943 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 20.9 ptt? -71.22 -28.58 64.3 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 2.72 109.991 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.688 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 36.0 mt-30 -66.28 -49.89 65.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.013 -0.736 . . . . 1.05 109.013 172.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 47.4 m-85 -61.76 -31.22 71.39 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.417 -0.81 . . . . 0.38 110.312 175.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -61.02 -38.61 86.72 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.856 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HD3' ' O ' ' A' ' 21' ' ' MET . 2.3 mpp_? -64.67 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.097 0.475 . . . . 2.87 110.394 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -84.24 -15.58 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.28 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.3 mp -100.02 -13.87 18.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.822 -0.626 . . . . 0.21 110.633 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 91.9 m -83.03 104.8 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.568 -0.53 . . . . 0.2 109.568 175.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -147.64 164.81 32.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.697 -0.683 . . . . 0.79 110.182 -174.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -103.17 127.27 57.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.725 -0.843 . . . . 1.03 108.725 170.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.63 160.23 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 0.26 110.27 -172.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -113.31 124.7 53.11 Favored 'General case' 0 C--N 1.313 -1.007 0 O-C-N 121.921 -0.487 . . . . 0.67 110.194 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 39' ' ' SER . 23.9 mt -90.34 142.61 27.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.21 111.255 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 32.8 mtmt -144.41 106.4 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 0.84 109.92 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 37' ' ' LEU . 4.5 t -169.45 -166.59 0.61 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 121.073 -0.251 . . . . 0.34 110.554 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.89 -14.45 62.78 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.541 0.686 . . . . 3.02 110.144 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.538 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 24.8 tp -65.57 -64.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.036 -0.983 . . . . 1.0 109.192 172.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 178.62 -175.99 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.23 -0.895 . . . . 0.82 109.176 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.55 101.23 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 0.34 109.599 171.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -153.24 159.31 42.58 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.274 -0.421 . . . . 2.08 109.965 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 26.3 m -83.35 124.49 30.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.496 -0.557 . . . . 0.32 109.496 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.84 153.9 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.908 -0.587 . . . . 0.23 109.828 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 29.8 ttmt -100.11 119.63 38.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.029 -0.73 . . . . 1.61 109.029 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.15 156.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.133 0.492 . . . . 0.35 110.726 -174.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -174.17 -172.22 0.68 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.988 -1.005 . . . . 0.21 108.438 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' HB3' HD23 ' A' ' 27' ' ' LEU . 30.7 p -129.15 169.66 14.5 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.698 -0.401 . . . . 0.19 110.431 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.518 ' HB2' ' HB3' ' A' ' 52' ' ' GLU . 27.6 t -63.36 165.9 7.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 1.15 110.53 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.963 0.411 . . . . 2.1 110.25 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG21 ' A' ' 20' ' ' VAL . 3.2 m-20 -94.73 -0.99 53.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.71 110.136 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.28 4.47 73.81 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.963 -0.562 . . . . 0.43 112.624 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -73.38 1.07 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.025 0.38 . . . . 1.99 112.025 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 47' ' ' SER . 20.7 tt0 -153.62 150.87 29.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.936 -0.306 . . . . 1.49 111.657 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 76' ' ' VAL . 59.2 t -107.98 115.69 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.961 -1.126 . . . . 0.34 107.961 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.03 161.51 27.39 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.507 0.194 . . . . 2.12 110.653 -171.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 6.0 p90 -147.65 156.72 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 0.29 112.516 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 63.2 m-85 -115.1 112.02 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.911 -1.04 . . . . 0.53 109.189 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.4 mttt . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 1.2 111.986 -170.595 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 7.6 Cg_exo . . . . . 0 N--CA 1.459 -0.509 0 CA-C-O 120.921 0.3 . . . . 0.59 111.826 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -100.15 4.54 44.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 1.02 109.384 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.83 176.89 39.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.665 -0.974 . . . . 0.26 110.665 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 151.63 157.65 8.0 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.124 -1.036 . . . . 0.4 113.049 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -138.44 150.98 68.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.802 -0.444 . . . . 0.21 109.802 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 24.1 Cg_exo -64.22 143.52 83.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.25 112.715 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 56.0 t -71.14 -38.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.981 -1.009 . . . . 0.3 111.925 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.13 -14.92 61.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 1.29 110.399 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.631 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -92.24 -5.89 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 1.54 111.363 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.651 HG12 ' CE2' ' A' ' 74' ' ' PHE . 20.9 mt -65.16 124.77 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.34 -0.615 . . . . 0.26 109.34 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.521 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.6 t -87.13 -30.52 21.01 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.617 -0.433 . . . . 0.28 111.016 -175.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.1 m -158.18 136.21 10.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.88 111.355 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG21 HG23 ' A' ' 121' ' ' ILE . 3.8 p -117.45 106.78 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.475 -0.935 . . . . 1.36 108.475 173.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.712 ' HG3' HG13 ' A' ' 93' ' ' VAL . 14.9 pttt -135.27 168.06 19.88 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.142 -0.935 . . . . 1.7 111.312 -172.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -128.61 153.58 47.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.314 -0.857 . . . . 0.72 108.942 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.4 OUTLIER -60.86 167.26 2.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 0.47 111.183 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.72 111.886 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.52 -22.26 10.89 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.586 -0.524 . . . . 1.59 109.586 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.6 p30 37.97 53.52 1.59 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.102 -0.954 . . . . 1.14 112.987 175.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.523 HG22 ' HG3' ' A' ' 90' ' ' LYS . 48.0 m -47.77 -71.05 0.08 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.598 -0.274 . . . . 0.68 110.814 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.523 ' HG3' HG22 ' A' ' 89' ' ' THR . 91.7 mttt -116.22 8.54 14.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.54 0.209 . . . . 1.47 111.363 170.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 3.0 t -101.49 119.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.781 0.66 . . . . 0.39 112.781 -171.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 3.5 mp -105.69 152.22 23.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 0.22 109.792 171.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 83' ' ' LYS . 2.3 p -137.6 113.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.447 0.642 . . . . 0.24 111.128 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.484 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.3 mp -128.0 130.2 69.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.292 -0.413 . . . . 0.18 110.084 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -119.61 142.01 48.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.898 0.38 . . . . 0.2 110.734 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 1.5 p -118.84 140.74 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.14 110.876 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 18.2 t-20 -134.84 96.67 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.938 0.399 . . . . 1.87 111.517 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 164.87 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.195 1.398 . . . . 0.75 107.846 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.1 Cg_exo -64.27 172.05 6.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.726 1.617 . . . . 0.4 109.28 154.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.73 113.36 7.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.852 -0.425 . . . . 1.87 109.852 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -43.88 115.3 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.915 3.076 . . . . 0.57 113.727 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 m -138.08 145.64 41.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.159 -0.928 . . . . 0.33 109.357 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.6 m -117.49 110.76 18.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.063 0.459 . . . . 0.28 110.055 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -91.99 125.77 36.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.056 -0.52 . . . . 0.3 110.69 -174.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.612 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.03 106.39 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.652 -0.499 . . . . 0.46 109.652 176.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -84.87 111.36 19.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.529 -0.545 . . . . 0.34 109.529 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.568 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 17.8 m -120.28 138.54 53.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.39 110.238 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -140.46 178.42 7.33 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.768 -0.373 . . . . 0.39 110.062 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 90' ' ' LYS . 1.5 tmtp? -73.01 -38.9 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.21 -0.663 . . . . 1.94 109.21 174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -84.32 124.3 73.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.301 -0.863 . . . . 1.03 111.036 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.673 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 16.0 Cg_exo -67.83 -24.35 40.46 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.409 2.073 . . . . 1.09 110.986 172.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.47 -38.81 10.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.89 -0.671 . . . . 0.63 112.786 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -56.25 -46.6 79.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.373 0.606 . . . . 1.14 111.108 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.2 OUTLIER -70.0 -40.12 75.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.463 -0.79 . . . . 2.83 110.733 -174.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 23.1 mt-10 -66.95 -35.0 78.99 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.633 0.254 . . . . 1.59 110.715 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -56.62 -38.24 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.402 -0.592 . . . . 1.15 109.402 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -46.65 54.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.26 110.113 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -55.42 -49.83 71.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.454 -0.794 . . . . 0.74 111.989 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 12.1 pt-20 -70.88 -32.88 70.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 0.47 111.263 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.52 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.6 mm100 -76.29 -42.34 45.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.32 112.332 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 82' ' ' VAL . 9.9 tp -62.67 -35.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.464 -0.334 . . . . 0.22 110.131 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 43.7 mt-30 -56.75 -45.4 82.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.241 0.543 . . . . 1.0 110.071 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 m -67.41 -42.19 83.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.443 -0.799 . . . . 1.03 111.185 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.433 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -65.54 -47.06 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.073 -0.343 . . . . 0.18 110.073 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.566 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 40.2 mtp -54.88 -52.32 63.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.26 111.288 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 73.5 mmtt -71.27 -32.66 68.95 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.32 -0.4 . . . . 1.34 110.801 -176.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.425 ' HE1' ' HA ' ' A' ' 16' ' ' ARG . 86.9 t80 -53.65 -42.82 68.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.891 0.377 . . . . 0.47 111.138 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.0 ptm . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.449 -0.341 . . . . 1.63 111.758 -179.621 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttm180 . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.76 -0.089 . . . . 1.88 110.76 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.9 mtt -56.83 -40.33 75.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.573 -0.285 . . . . 1.78 111.061 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 25.5 pttt -76.06 -37.34 58.37 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.446 -0.501 . . . . 1.61 110.395 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.1 tmtp? -71.74 -37.07 70.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.99 110.678 -173.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.1 m -65.93 -31.3 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.253 -0.43 . . . . 0.21 110.21 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.3 mmm -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 2.72 110.489 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.597 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 44.2 mt-30 -66.94 -47.06 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.119 -0.697 . . . . 1.05 109.119 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CD1' HD23 ' A' ' 124' ' ' LEU . 48.9 m-85 -63.63 -33.83 76.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.506 -0.77 . . . . 0.38 110.584 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 43.7 ttt180 -61.05 -41.2 96.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.886 -176.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.981 0.42 . . . . 2.87 110.287 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.26 -24.04 47.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.906 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.5 mp -91.69 -18.69 23.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.51 177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 86.6 m -75.81 106.12 7.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.226 -0.657 . . . . 0.2 109.226 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 169.78 21.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.107 -0.497 . . . . 0.79 110.149 -175.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.02 125.65 63.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.859 -0.793 . . . . 1.03 108.859 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.26 149.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.818 0.342 . . . . 0.26 110.672 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.0 tmtt? -99.33 118.0 35.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.67 110.253 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.2 mt -85.96 144.21 27.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.21 110.909 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -143.03 106.28 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.68 -0.691 . . . . 0.84 109.527 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.7 t -169.04 -169.43 0.97 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.162 -0.31 . . . . 0.34 110.162 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.04 -15.51 59.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.317 0.58 . . . . 3.02 110.395 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' A' ' 35' ' ' THR . 50.6 tp -64.84 -57.58 8.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.27 -0.877 . . . . 1.0 108.91 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 170.54 -169.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 124.154 0.909 . . . . 0.82 108.842 177.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.2 p -137.39 100.75 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.026 -0.361 . . . . 0.34 110.026 173.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.613 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.8 mm-40 -158.69 163.81 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.051 -0.522 . . . . 2.08 110.338 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 55.2 m -83.22 122.2 28.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.139 0.495 . . . . 0.32 110.614 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.8 m -122.55 164.95 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.718 -0.674 . . . . 0.23 109.73 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -109.3 121.78 45.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.906 -0.776 . . . . 1.61 108.906 171.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.72 160.94 3.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 110.174 -0.306 . . . . 0.35 110.174 -175.073 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.3 t -179.53 -173.04 0.24 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.859 -0.793 . . . . 0.21 108.859 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.514 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -134.15 164.27 27.73 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.567 -0.531 . . . . 0.19 109.567 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -72.92 172.31 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.273 -0.269 . . . . 1.15 110.273 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.66 -45.55 91.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.512 0.56 . . . . 2.1 112.512 -170.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.82 3.09 46.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.643 0.258 . . . . 0.71 110.967 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.13 -3.02 59.31 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 121.068 -0.587 . . . . 0.43 113.047 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.93 -28.48 69.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 1.99 111.876 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.85 149.96 49.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.878 0.325 . . . . 1.49 111.878 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 55.4 t -106.1 129.93 58.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.084 -1.08 . . . . 0.34 108.084 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HG3' HG23 ' A' ' 45' ' ' THR . 3.3 pt20 -135.1 153.35 52.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.812 0.339 . . . . 2.12 110.572 -174.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -143.19 154.64 44.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.807 0.813 . . . . 0.29 111.603 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.74 102.69 10.96 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.786 -1.097 . . . . 0.53 109.258 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 48.0 mtmt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.207 -0.451 . . . . 1.2 110.589 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.461 -0.41 0 CA-C-O 121.02 0.342 . . . . 0.59 111.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 15.6 t -106.81 13.66 27.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.637 0.732 . . . . 1.02 109.299 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.0 156.47 11.6 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.087 -0.961 . . . . 0.26 111.089 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.25 159.84 23.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.616 -0.802 . . . . 0.4 112.356 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.699 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -156.5 156.77 30.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 4.4 Cg_exo -72.24 139.99 33.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.731 2.287 . . . . 0.25 112.735 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 2.4 t -63.15 -40.6 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.635 -1.166 . . . . 0.3 112.334 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.43 -11.04 60.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.861 0.362 . . . . 1.29 111.358 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -95.46 -7.6 37.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 1.54 111.194 -178.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' CE2' ' A' ' 74' ' ' PHE . 25.0 mt -64.07 112.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.593 -0.521 . . . . 0.26 109.593 174.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.518 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 13.4 t -78.64 -29.19 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.497 -0.319 . . . . 0.28 111.032 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.484 ' CB ' ' HE2' ' A' ' 83' ' ' LYS . 64.6 m -157.72 131.21 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.893 0.378 . . . . 0.88 111.477 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 82' ' ' VAL . 3.7 p -117.88 106.55 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.496 -0.927 . . . . 1.36 108.496 173.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.484 ' HE2' ' CB ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -139.1 166.05 25.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.506 0.67 . . . . 1.7 111.292 -170.264 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 p -109.82 154.81 22.48 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.655 -0.869 . . . . 0.72 108.655 170.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -56.97 179.58 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.139 0.422 . . . . 0.47 112.139 -178.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.87 75.31 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.804 -0.359 . . . . 0.72 110.295 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.77 -26.12 14.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.306 0.574 . . . . 1.59 110.122 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.621 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.9 p-10 30.15 42.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 113.511 -1.677 . . . . 1.14 114.532 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.5 m -53.35 -68.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.761 0.315 . . . . 0.68 110.295 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 5.8 ptpp? -113.39 13.48 18.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.368 -0.378 . . . . 1.47 110.863 171.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.435 HG12 ' NE2' ' A' ' 85' ' ' GLN . 2.3 t -111.44 128.09 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.857 0.688 . . . . 0.39 112.857 -169.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.4 mp -111.86 152.36 28.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.955 -0.566 . . . . 0.22 109.926 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.432 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.4 p -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.76 0.791 . . . . 0.24 111.407 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.508 HD11 HE22 ' A' ' 118' ' ' GLN . 2.0 mp -119.96 131.71 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.715 . . . . 0.18 109.781 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -123.26 144.34 49.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.616 0.246 . . . . 0.2 110.492 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.0 p -118.52 146.57 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.512 -0.313 . . . . 0.14 111.284 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.518 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 26.6 t-20 -123.79 138.24 54.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.327 -0.397 . . . . 1.87 110.282 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.2 t30 102.33 -59.8 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.594 1.558 . . . . 0.75 111.069 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.5 172.37 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.494 1.463 . . . . 0.4 110.889 161.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.66 113.99 8.46 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.85 -0.426 . . . . 1.87 109.85 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.85 112.51 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.623 2.882 . . . . 0.57 113.105 -172.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -144.35 146.19 32.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.266 -0.879 . . . . 0.33 109.609 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' VAL . 93.9 m -120.44 108.52 14.21 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.558 -0.534 . . . . 0.28 109.558 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -90.03 122.38 32.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.959 -0.564 . . . . 0.3 110.861 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.03 105.36 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.46 109.445 177.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -84.61 110.86 19.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.549 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 19.0 m -120.98 136.24 55.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.686 -0.688 . . . . 0.39 110.377 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -141.35 172.14 13.09 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.73 -0.388 . . . . 0.39 110.217 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.58 -42.26 78.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.2 0.524 . . . . 1.94 109.645 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -72.25 124.1 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.555 -0.748 . . . . 1.03 111.425 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.431 ' C ' HH21 ' A' ' 114' ' ' ARG . 13.0 Cg_exo -70.8 2.34 4.21 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.589 2.193 . . . . 1.09 111.751 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.99 -45.04 0.9 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.735 -0.745 . . . . 0.63 112.509 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.44 -45.18 55.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.582 0.586 . . . . 1.14 112.582 -171.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -69.67 -47.44 63.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.871 -0.604 . . . . 2.83 110.925 -172.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.75 -32.12 70.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.436 -0.347 . . . . 1.59 111.336 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.459 . . . . 1.15 109.824 170.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -72.49 -45.04 61.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.26 109.459 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.655 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.0 tp-100 -51.93 -50.26 61.51 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.033 -0.985 . . . . 0.74 112.242 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.56 -29.52 64.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.118 0.485 . . . . 0.47 111.051 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.1 mm100 -75.69 -45.53 36.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.103 -0.499 . . . . 0.32 111.753 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' A' ' 125' ' ' MET . 6.8 tp -60.07 -44.31 94.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.501 -0.318 . . . . 0.22 110.76 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 8.1 pt20 -69.38 -31.57 70.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.874 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.4 m -71.33 -34.96 71.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.298 -0.41 . . . . 1.03 110.221 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -66.51 -45.35 79.83 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.292 -0.633 . . . . 0.18 109.292 174.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.525 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.5 mtp -54.17 -53.81 48.31 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.26 110.729 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -71.27 -28.28 64.03 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.553 -0.294 . . . . 1.34 111.13 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -55.08 -40.61 70.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.894 0.378 . . . . 0.47 110.823 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.63 111.475 178.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.5 ttm180 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 120.283 0.087 . . . . 1.88 111.187 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.9 -38.62 82.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.707 0.289 . . . . 1.78 111.318 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 17.4 ptpt -75.59 -34.68 60.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.524 -0.471 . . . . 1.61 110.036 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.4 tmtp? -73.35 -39.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 0.99 111.104 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.9 m -63.73 -31.17 52.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.605 -0.27 . . . . 0.21 110.316 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.021 0.438 . . . . 2.72 110.436 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 35.7 mt-30 -66.07 -40.29 90.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.795 -0.639 . . . . 1.05 109.591 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -70.6 -36.1 73.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.559 -0.746 . . . . 0.38 110.298 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 27.3 ttt180 -58.94 -42.11 89.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.57 110.891 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -65.44 -33.51 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.847 0.356 . . . . 2.87 110.786 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -17.3 50.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.288 0.566 . . . . 0.28 110.931 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.11 -14.24 21.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.899 -0.592 . . . . 0.21 110.725 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.4 m -84.77 105.79 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.144 0.497 . . . . 0.2 110.18 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.0 mptm? -150.6 171.14 17.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.384 -0.825 . . . . 0.79 109.417 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 108' ' ' PHE . 1.1 t -108.86 129.71 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 107.696 -1.224 . . . . 1.03 107.696 166.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.15 148.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.976 -0.556 . . . . 0.26 109.643 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 8.1 tmtt? -100.23 118.74 37.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.079 0.466 . . . . 0.67 110.619 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 39' ' ' SER . 21.0 mt -85.64 145.56 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.68 -0.691 . . . . 0.21 110.618 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.9 mtmt -145.96 106.6 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.84 109.889 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.1 t -169.14 -168.29 0.82 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.267 -0.272 . . . . 0.34 110.267 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -60.27 -21.0 61.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.321 0.581 . . . . 3.02 110.254 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -64.35 -62.6 1.5 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 1.0 109.69 176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 177.88 -175.42 0.17 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.755 -0.657 . . . . 0.82 109.408 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 44.1 p -133.42 99.15 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.766 -0.457 . . . . 0.34 109.766 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 76.7 mm-40 -153.32 157.98 40.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.815 -0.439 . . . . 2.08 109.815 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 84.8 m -80.53 119.65 23.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 0.32 109.711 174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.43 152.51 20.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.465 -0.789 . . . . 0.23 109.213 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 40.3 ttpt -97.22 119.86 36.5 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.779 -0.822 . . . . 1.61 108.779 173.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.2 152.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.784 -0.45 . . . . 0.35 109.784 -173.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 t -171.38 -171.02 0.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.552 -0.907 . . . . 0.21 108.552 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.7 p -144.17 164.79 29.68 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.771 -0.372 . . . . 0.19 111.092 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 t -60.75 160.08 9.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.82 -0.627 . . . . 1.15 110.869 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.81 -13.3 62.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 2.1 112.105 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -110.43 8.2 23.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.04 0.448 . . . . 0.71 110.072 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.36 23.38 64.44 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.339 -0.846 . . . . 0.43 112.682 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.55 -12.17 54.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 1.99 111.436 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -149.79 148.01 28.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.798 -0.361 . . . . 1.49 111.06 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -109.13 126.41 66.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.763 -0.829 . . . . 0.34 108.763 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 5.0 mm-40 -120.4 159.79 24.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.549 0.214 . . . . 2.12 110.538 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.2 151.41 36.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.525 0.679 . . . . 0.29 111.377 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.76 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 54.3 m-85 -117.36 112.85 21.27 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.101 -0.954 . . . . 0.53 109.335 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' HB3' ' A' ' 71' ' ' SER . 44.9 mtmt . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.252 -0.431 . . . . 1.2 111.391 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.76 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 8.3 Cg_exo . . . . . 0 N--CA 1.461 -0.397 0 CA-C-O 121.373 0.489 . . . . 0.59 112.68 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 7.9 t -104.42 17.24 24.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.662 -0.866 . . . . 1.02 108.662 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.03 162.71 11.01 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.845 -1.07 . . . . 0.26 110.801 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.93 -172.93 42.19 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.371 -0.918 . . . . 0.4 112.594 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -166.08 150.94 7.53 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.627 0.251 . . . . 0.21 110.357 179.319 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 17.3 Cg_exo -66.61 138.08 48.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.93 2.42 . . . . 0.25 112.464 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 53' ' ' VAL . 67.3 t -62.41 -39.26 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.974 -1.012 . . . . 0.3 111.513 -177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.28 -17.77 63.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.808 -0.633 . . . . 1.29 111.179 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 12.0 mptt -95.54 -5.53 42.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.193 -0.458 . . . . 1.54 111.691 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.641 HG12 ' CE2' ' A' ' 74' ' ' PHE . 26.4 mt -65.8 129.53 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.97 -0.752 . . . . 0.26 108.97 173.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 8.9 t -90.58 -40.43 11.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.105 -0.638 . . . . 0.28 111.249 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.9 m -158.94 138.15 11.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.774 0.321 . . . . 0.88 111.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.505 HG12 ' OE1' ' A' ' 118' ' ' GLN . 70.6 t -119.46 107.73 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.422 -0.584 . . . . 1.36 109.422 177.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 167.23 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.665 0.745 . . . . 1.7 111.51 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -111.4 155.55 22.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.72 108.738 171.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.505 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.71 -173.82 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.081 0.4 . . . . 0.47 112.081 -177.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.71 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.939 0.399 . . . . 0.72 110.519 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.8 -26.06 12.4 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.71 -0.478 . . . . 1.59 109.71 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.505 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.3 p-10 34.65 39.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.856 1.428 . . . . 1.14 114.856 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 53.4 m -57.24 -58.59 7.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.424 -0.51 . . . . 0.68 110.047 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 4.4 ptpp? -115.91 12.51 15.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 1.47 112.203 169.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.6 128.96 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.552 0.575 . . . . 0.39 112.552 -169.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.3 mp -117.39 152.08 35.71 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.029 -0.532 . . . . 0.22 109.979 174.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.473 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.0 p -136.54 109.64 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.648 0.737 . . . . 0.24 111.349 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -122.91 132.51 71.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 0.18 110.451 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.6 m -121.4 145.02 48.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.2 110.739 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.415 ' HA ' ' H ' ' A' ' 80' ' ' THR . 1.9 p -119.54 140.85 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.14 110.466 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 20.0 t-20 -132.04 96.27 3.87 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.105 0.479 . . . . 1.87 111.783 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.658 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.7 t30 165.1 -55.23 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.605 0 CA-C-N 114.113 -1.403 . . . . 0.75 108.108 171.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.0 Cg_exo -60.64 172.72 2.57 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 121.82 1.68 . . . . 0.4 109.516 156.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.02 115.19 11.98 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.748 -0.464 . . . . 1.87 109.748 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.03 114.8 0.6 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.955 3.103 . . . . 0.57 113.378 -173.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -141.77 145.04 34.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.425 -0.807 . . . . 0.33 109.837 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 96.8 m -117.69 114.87 23.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.084 0.469 . . . . 0.28 110.066 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -95.5 129.12 42.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.838 -0.619 . . . . 0.3 110.736 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.85 105.47 15.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.46 109.329 175.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 94' ' ' ILE . 70.5 m-85 -83.91 110.49 18.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.943 -0.762 . . . . 0.34 108.943 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.579 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 29.8 m -120.88 134.04 55.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.7 -0.682 . . . . 0.39 110.412 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 30' ' ' VAL . 4.1 t80 -141.39 170.23 16.12 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.795 -0.446 . . . . 0.39 109.795 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.4 -48.92 68.55 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.491 1.138 . . . . 1.94 108.317 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 2.4 m -74.55 117.45 62.25 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 112.777 -2.01 . . . . 1.03 111.338 -172.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 24.8 Cg_exo -61.86 -38.45 59.07 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.627 2.218 . . . . 1.09 111.925 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.6 -27.02 63.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.675 -0.774 . . . . 0.63 112.903 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 8.4 tp10 -63.41 -51.16 66.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 1.14 110.851 -174.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -71.2 -37.66 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.512 -0.767 . . . . 2.83 110.612 -175.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.508 ' HG3' ' NH2' ' A' ' 114' ' ' ARG . 38.9 mt-10 -64.7 -42.78 95.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.59 111.25 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -60.57 -33.73 73.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 1.15 110.055 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 -46.38 62.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.26 110.12 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.505 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.4 tp-100 -51.98 -48.78 64.22 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.214 -0.903 . . . . 0.74 112.265 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.62 -40.59 61.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.713 0.292 . . . . 0.47 111.441 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.24 -40.05 89.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.406 0.521 . . . . 0.32 112.406 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.56 -38.57 81.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.79 0.328 . . . . 0.22 110.395 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.34 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.255 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 m -62.09 -35.67 79.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 1.03 110.56 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.9 tm? -71.05 -45.9 62.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.18 110.049 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 44.9 mtp -58.59 -51.99 67.54 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.26 111.26 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -72.9 -17.94 61.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.931 -0.577 . . . . 1.34 111.255 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -71.52 -59.46 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.026 -0.533 . . . . 0.47 111.449 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.8 ppp? . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 1.63 111.599 -172.735 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttt180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.199 -0.297 . . . . 1.88 110.199 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.5 mtp -60.01 -39.38 85.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.312 . . . . 1.78 111.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.716 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.4 ptpp? -74.44 -33.17 62.87 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.073 -0.651 . . . . 1.61 110.898 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.712 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.8 tmtp? -74.5 -38.79 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.934 -0.479 . . . . 0.99 110.754 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.9 m -67.06 -31.75 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.686 -0.234 . . . . 0.21 111.077 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 15.8 ptp -70.19 -30.62 67.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.565 -0.454 . . . . 2.72 109.959 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.716 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 38.4 mt-30 -62.9 -50.44 70.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.035 -0.728 . . . . 1.05 109.035 172.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.712 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 41.1 m-85 -63.0 -35.46 80.28 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.401 -0.818 . . . . 0.38 110.471 177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.572 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 42.8 ttt180 -58.4 -40.21 81.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.58 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 21' ' ' MET . 85.1 mtt180 -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.209 0.528 . . . . 2.87 110.592 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.67 -13.02 60.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.28 111.194 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -20.93 15.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.792 -0.64 . . . . 0.21 110.758 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.8 m -76.86 105.28 7.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.133 0.492 . . . . 0.2 109.994 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -149.18 165.71 31.01 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.377 -0.828 . . . . 0.79 109.479 -175.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.36 125.77 56.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 107.993 -1.114 . . . . 1.03 107.993 169.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.13 149.57 15.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.205 -0.452 . . . . 0.26 110.409 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 10.0 tmtt? -101.9 121.09 41.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.985 0.421 . . . . 0.67 110.394 -178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.8 mt -85.82 143.57 28.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.89 -0.595 . . . . 0.21 110.651 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 25.8 mtmt -146.04 106.03 4.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.84 109.853 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.7 t -169.36 -170.87 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.209 -0.293 . . . . 0.34 110.209 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -60.38 -18.92 53.59 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.264 0.554 . . . . 3.02 110.413 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB3' HG23 ' A' ' 35' ' ' THR . 30.4 tp -63.2 -66.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 1.0 108.876 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 2.8 p90 -178.46 -175.38 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.487 -0.778 . . . . 0.82 109.205 176.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.65 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 10.1 p -129.21 99.32 5.19 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.205 -0.665 . . . . 0.34 109.205 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -146.84 156.15 42.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.178 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 20.2 m -83.26 117.03 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.235 -0.654 . . . . 0.32 109.235 174.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -121.56 153.43 25.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.818 0.342 . . . . 0.23 110.351 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 26.0 ttpp -98.75 116.54 31.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.631 -0.878 . . . . 1.61 108.631 171.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.33 157.99 3.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.404 -0.362 . . . . 0.35 110.207 -175.139 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -178.97 -169.39 0.15 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.413 -0.812 . . . . 0.21 108.939 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 p -136.78 162.88 31.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.881 -0.414 . . . . 0.19 109.881 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 t -65.09 170.74 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.439 -0.346 . . . . 1.15 110.712 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.92 -47.96 81.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.929 0.344 . . . . 2.1 111.929 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.73 6.81 26.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.71 110.405 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.04 6.46 68.26 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.894 -0.593 . . . . 0.43 113.584 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -70.06 -24.79 63.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.683 0.623 . . . . 1.99 112.683 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 75' ' ' PRO . 14.1 mt-10 -134.83 150.19 50.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.148 0.425 . . . . 1.49 112.148 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 76' ' ' VAL . 45.2 t -95.8 137.39 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.972 -1.122 . . . . 0.34 107.972 170.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -137.1 158.66 43.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.04 -0.264 . . . . 2.12 110.717 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.59 151.65 36.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.571 0.7 . . . . 0.29 111.99 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -113.58 116.57 29.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.848 -1.069 . . . . 0.53 109.145 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.71 0.291 . . . . 1.2 111.314 -173.308 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 C--O 1.234 0.319 0 CA-C-O 121.017 0.34 . . . . 0.59 111.813 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -92.74 0.06 57.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.966 -0.561 . . . . 1.02 110.28 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.92 172.45 42.39 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.963 -0.637 . . . . 0.26 111.711 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 -177.27 35.42 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.831 -0.7 . . . . 0.4 112.322 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.674 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -162.43 158.66 20.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 110.307 -0.257 . . . . 0.21 110.307 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 52' ' ' GLU . 14.4 Cg_exo -69.53 135.73 31.76 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.449 . . . . 0.25 112.612 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.413 ' HB ' ' SD ' ' A' ' 128' ' ' MET . 78.6 t -64.17 -35.63 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.118 -0.947 . . . . 0.3 111.235 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.68 -13.5 62.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.612 -0.722 . . . . 1.29 110.96 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -103.55 -6.56 21.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.833 -0.621 . . . . 1.54 111.969 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.674 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.5 mt -64.32 114.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.545 -0.539 . . . . 0.26 109.545 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 10.8 t -81.56 -36.1 29.46 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.826 -0.349 . . . . 0.28 111.228 -175.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 68.5 m -153.36 131.6 11.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.88 111.889 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 125' ' ' MET . 62.7 t -114.94 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.215 -1.032 . . . . 1.36 108.215 170.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -134.05 166.67 22.2 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.369 -0.832 . . . . 1.7 110.24 -170.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 118' ' ' GLN . 77.9 p -115.19 154.45 28.98 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.212 -0.662 . . . . 0.72 109.212 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.589 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.78 179.73 0.16 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.331 0.493 . . . . 0.47 112.331 -179.242 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.6 86.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.818 0.342 . . . . 0.72 110.841 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.13 -26.99 13.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.935 -0.394 . . . . 1.59 109.935 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.589 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.41 41.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.215 1.561 . . . . 1.14 115.215 173.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -53.44 -66.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.46 -0.496 . . . . 0.68 109.932 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 5.3 ptpp? -113.71 12.02 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.539 . . . . 1.47 112.245 172.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.509 HG12 ' NE2' ' A' ' 85' ' ' GLN . 4.2 t -108.88 111.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.488 0.551 . . . . 0.39 112.488 -169.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.641 ' HG ' ' OE1' ' A' ' 118' ' ' GLN . 7.8 mp -98.94 149.94 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 0.22 109.999 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.417 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.3 p -133.32 110.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.764 0.792 . . . . 0.24 111.382 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.42 HD13 ' CD2' ' A' ' 106' ' ' PHE . 2.1 mp -118.02 131.37 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 0.18 110.326 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -123.13 145.57 48.48 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.097 -0.334 . . . . 0.2 110.097 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.526 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 p -118.65 145.32 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.769 0.318 . . . . 0.14 111.288 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 24.8 t-20 -122.79 142.27 50.92 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.152 -0.476 . . . . 1.87 110.239 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.7 t30 100.59 -61.28 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 125.492 1.517 . . . . 0.75 111.294 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 35.6 Cg_exo -61.17 172.64 3.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.635 1.557 . . . . 0.4 110.67 164.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.46 110.16 2.66 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 1.87 109.708 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.63 115.16 1.11 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.931 3.087 . . . . 0.57 113.654 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 m -140.55 139.05 34.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.441 -0.799 . . . . 0.33 109.718 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.3 m -111.0 120.03 41.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.28 110.047 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -103.17 125.58 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.3 110.582 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.4 m-80 -105.07 106.85 17.53 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.283 0.563 . . . . 0.46 109.948 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 44' ' ' VAL . 63.3 m-85 -84.89 113.71 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.856 -1.065 . . . . 0.34 109.003 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.507 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 11.8 m -120.73 135.49 55.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.329 -0.396 . . . . 0.39 110.969 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB2' ' NH2' ' A' ' 114' ' ' ARG . 1.8 t80 -141.64 159.14 42.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.714 -0.476 . . . . 0.39 109.714 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.87 -36.1 81.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.064 0.459 . . . . 1.94 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 43.9 t -76.05 118.45 71.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 1.03 111.022 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.74 -26.67 38.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.718 2.278 . . . . 1.09 112.046 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.23 -31.83 53.86 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.666 -0.778 . . . . 0.63 111.353 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 7.1 tp10 -60.99 -41.58 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 1.14 110.012 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.15 -50.14 71.97 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.064 -0.971 . . . . 2.83 109.773 178.303 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 45.6 mt-10 -66.06 -46.09 79.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.295 -1.32 . . . . 1.59 111.487 -175.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.69 -41.78 82.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.439 0.462 . . . . 1.15 110.86 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -44.62 61.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.593 -0.276 . . . . 0.26 111.087 -176.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.641 ' OE1' ' HG ' ' A' ' 92' ' ' LEU . 7.8 tp60 -55.23 -48.83 73.35 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.846 -0.616 . . . . 0.74 112.028 -174.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.7 pt-20 -75.0 -38.77 61.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.986 0.422 . . . . 0.47 111.836 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.7 mm100 -65.97 -41.92 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.04 -0.527 . . . . 0.32 112.259 -173.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.46 -37.42 78.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.344 -0.389 . . . . 0.22 110.576 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.86 -37.5 81.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.486 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 t -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.736 -0.665 . . . . 1.03 110.081 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -66.96 -45.38 77.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.18 109.778 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.452 ' HG2' HD12 ' A' ' 79' ' ' ILE . 50.7 mtp -57.16 -51.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.26 111.13 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -72.3 -18.07 61.82 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.06 -0.518 . . . . 1.34 111.435 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.15 -57.57 3.93 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 120.323 -0.551 . . . . 0.47 111.089 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.469 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 1.7 ptm . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 112.358 0.503 . . . . 1.63 112.358 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 2.9 m . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 109.543 -0.54 . . . . 1.81 109.543 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.35 71.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.558 0.577 . . . . 0.97 112.558 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -80.22 -46.65 15.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.789 -0.449 . . . . 1.64 109.789 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' HB3' ' HB2' ' A' ' 11' ' ' SER . 30.4 t70 -59.89 -46.84 88.04 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 2.69 111.305 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.626 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.9 tp -64.37 -37.7 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 116.543 -0.299 . . . . 0.59 110.417 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.08 -48.82 67.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.126 -0.23 . . . . 1.88 110.648 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' ' HG2' ' A' ' 21' ' ' MET . 66.6 mtt -61.43 -34.69 75.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.634 -0.257 . . . . 1.78 111.176 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -75.7 -35.99 60.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.281 -0.568 . . . . 1.61 110.505 175.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -72.62 -39.15 67.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.99 110.724 -174.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 31.2 m -64.3 -31.65 54.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.21 110.248 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 17' ' ' MET . 25.1 mmt -65.59 -34.39 78.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.107 0.48 . . . . 2.72 110.306 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.684 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 43.6 mt-30 -65.93 -46.21 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.327 -0.62 . . . . 1.05 109.327 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 51.9 m-85 -67.35 -31.82 72.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.705 . . . . 0.38 110.508 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 28.3 ttt180 -60.64 -41.18 94.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.57 110.835 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -66.93 -35.57 80.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.404 . . . . 2.87 110.616 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.35 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.888 -0.596 . . . . 0.28 111.084 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.66 -19.95 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.044 -0.525 . . . . 0.21 110.396 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 85.4 m -76.37 107.23 8.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.146 -0.687 . . . . 0.2 109.146 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 172.51 16.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.74 126.62 68.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.103 -0.702 . . . . 1.03 109.103 171.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.01 149.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.26 110.377 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.24 120.65 40.83 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.083 0.468 . . . . 0.67 110.194 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.0 mt -86.78 146.08 26.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.21 110.836 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -145.96 106.07 4.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.535 -0.543 . . . . 0.84 109.535 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.9 t -169.87 -168.26 0.74 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 121.072 -0.251 . . . . 0.34 110.479 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -66.34 -16.45 64.06 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.32 0.581 . . . . 3.02 110.239 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 26.0 tp -65.03 -61.66 2.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.041 173.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.545 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.0 p90 177.72 -178.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.214 -0.903 . . . . 0.82 109.038 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.45 100.15 5.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.372 -0.603 . . . . 0.34 109.372 171.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -151.91 157.43 41.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.618 -0.512 . . . . 2.08 109.618 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 44.6 m -83.05 115.8 22.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.599 -0.519 . . . . 0.32 109.599 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.63 159.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.989 -0.55 . . . . 0.23 110.554 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 39.8 ttpt -102.86 122.71 45.09 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.93 -0.767 . . . . 1.61 108.93 171.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.39 159.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 110.136 -0.32 . . . . 0.35 110.136 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -175.14 -172.01 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.796 -0.816 . . . . 0.21 108.796 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -138.78 161.16 37.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.818 -0.438 . . . . 0.19 109.818 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.548 ' OG ' ' HB2' ' A' ' 52' ' ' GLU . 55.7 m -66.4 -179.2 0.77 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.72 0.267 . . . . 1.15 111.72 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -68.35 -50.4 53.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.686 0.279 . . . . 2.1 111.019 -170.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.77 13.09 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 0.71 110.778 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.97 46.22 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 111.73 -0.548 . . . . 0.43 111.73 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 12.9 pt-20 -72.34 -16.18 61.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.523 0.564 . . . . 1.99 112.523 -172.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.548 ' HB2' ' OG ' ' A' ' 47' ' ' SER . 39.8 mt-10 -143.17 153.61 43.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.73 -0.214 . . . . 1.49 111.389 -174.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 59.9 t -106.06 129.25 59.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.34 108.514 170.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HA3' ' A' ' 73' ' ' GLY . 9.3 mm-40 -127.58 156.43 42.27 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.147 -0.316 . . . . 2.12 110.147 -173.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 20.9 p90 -144.26 155.5 43.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.381 0.61 . . . . 0.29 111.66 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.0 m-85 -120.5 119.58 33.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.964 -1.017 . . . . 0.53 109.397 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 71' ' ' SER . 6.4 mtmp? -81.68 107.4 14.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.729 0.299 . . . . 1.2 110.675 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.53 -114.41 6.69 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.397 -0.82 . . . . 1.35 112.418 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -95.95 123.46 39.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.269 -0.641 . . . . 4.98 109.269 176.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.44 ' OG ' ' HB3' ' A' ' 56' ' ' PHE . 36.1 p -127.98 179.64 5.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.956 -0.565 . . . . 3.89 111.188 -172.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.3 p -121.36 82.0 1.87 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.609 -0.723 . . . . 2.95 110.071 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -52.38 107.15 0.19 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.1 -0.5 . . . . 1.69 111.057 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.25 111.22 0.26 Allowed Glycine 0 C--N 1.334 0.418 0 O-C-N 124.393 1.058 . . . . 1.99 114.622 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . 58.25 29.31 17.84 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.348 0.659 . . . . 1.76 111.99 175.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 71.26 -16.11 0.38 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.404 0.681 . . . . 3.33 111.411 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 64' ' ' ALA . 10.9 t70 -92.14 6.48 46.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.811 0.815 . . . . 2.86 109.524 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 7.5 mtm180 57.72 50.87 10.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.063 -1.426 . . . . 3.34 111.56 176.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -95.24 10.92 34.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.959 -0.564 . . . . 2.24 111.064 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -134.71 80.05 51.15 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 2.92 110.18 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 Cg_exo -77.75 153.37 29.74 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.7 2.266 . . . . 0.59 112.419 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 56' ' ' PHE . 3.2 m -78.87 -7.71 58.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.496 -0.774 . . . . 1.02 110.208 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.53 168.27 33.67 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.421 -1.072 . . . . 0.26 110.421 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.488 ' HA3' ' OE1' ' A' ' 54' ' ' GLN . . . 166.69 -175.94 41.9 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.164 -1.017 . . . . 0.4 112.743 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -168.3 156.13 7.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.099 -0.334 . . . . 0.21 110.099 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.7 Cg_exo -68.57 139.99 46.18 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.582 2.188 . . . . 0.25 112.613 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 125' ' ' MET . 38.6 t -67.38 -36.59 76.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.055 -0.975 . . . . 0.3 111.376 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.44 -22.7 64.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.282 0.563 . . . . 1.29 110.411 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HD2' ' N ' ' A' ' 78' ' ' LYS . 1.3 mptp? -91.82 -6.98 50.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 1.54 111.883 -173.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.681 HG12 ' CE2' ' A' ' 74' ' ' PHE . 14.3 mt -61.72 113.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.346 -0.612 . . . . 0.26 109.346 173.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.567 ' HB ' HD22 ' A' ' 97' ' ' ASN . 14.1 t -79.0 -29.6 43.8 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.755 -0.378 . . . . 0.28 111.039 -174.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 137.73 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.88 111.293 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.439 HG22 ' OE1' ' A' ' 118' ' ' GLN . 7.3 p -123.3 107.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.583 -0.895 . . . . 1.36 108.583 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.708 ' HG3' HG13 ' A' ' 93' ' ' VAL . 8.6 pttt -138.27 167.75 21.19 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.737 0.779 . . . . 1.7 111.863 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -116.22 154.19 30.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.368 -0.833 . . . . 0.72 108.773 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.519 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.85 176.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.535 0.207 . . . . 0.47 111.467 -178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.8 89.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.72 110.867 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -105.7 -26.29 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.234 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.519 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.8 p-10 33.28 40.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.957 1.466 . . . . 1.14 114.957 172.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.5 m -52.97 -62.52 1.6 Allowed 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 120.545 -0.462 . . . . 0.68 110.594 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 108' ' ' PHE . 19.8 ptmt -115.22 12.39 16.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.456 0.539 . . . . 1.47 112.456 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.44 HG12 ' NE2' ' A' ' 85' ' ' GLN . 5.0 t -113.7 135.81 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.871 0.693 . . . . 0.39 112.871 -171.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.2 mp -118.31 153.03 34.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.383 0.673 . . . . 0.22 109.794 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.708 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -135.08 117.65 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 121.435 0.636 . . . . 0.24 111.313 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -130.47 130.01 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.18 110.123 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -119.5 145.13 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.06 -0.348 . . . . 0.2 110.06 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.1 p -122.98 147.12 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.146 0.425 . . . . 0.14 112.146 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.567 HD22 ' HB ' ' A' ' 80' ' ' THR . 7.6 p30 -116.18 153.84 31.1 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.523 -0.547 . . . . 1.87 109.523 172.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.576 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.7 t30 95.21 -64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.193 1.397 . . . . 0.75 111.211 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 48.7 Cg_exo -60.13 170.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 CA-C-N 121.227 1.474 . . . . 0.4 110.008 159.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.51 113.66 8.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.306 -0.627 . . . . 1.87 109.306 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -46.76 111.67 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.271 2.647 . . . . 0.57 112.531 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -133.72 145.31 49.75 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.128 -0.942 . . . . 0.33 109.128 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 87.7 m -114.49 109.44 18.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.085 0.469 . . . . 0.28 109.939 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -90.69 125.47 35.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.747 -0.661 . . . . 0.3 110.795 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.69 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -102.27 106.06 16.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 175.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 94' ' ' ILE . 69.3 m-85 -84.41 110.97 19.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.397 -0.594 . . . . 0.34 109.397 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.4 m -120.84 134.29 55.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 0.39 110.347 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.484 ' O ' ' HE3' ' A' ' 90' ' ' LYS . 9.7 t80 -140.71 169.01 18.45 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.645 -0.422 . . . . 0.39 110.162 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.78 -44.57 85.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.158 0.504 . . . . 1.94 109.741 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 41.2 t -69.18 121.87 83.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.262 -0.881 . . . . 1.03 111.108 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.496 ' C ' HH21 ' A' ' 114' ' ' ARG . 17.0 Cg_exo -68.81 3.72 2.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.928 2.419 . . . . 1.09 112.251 174.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.71 -38.88 0.74 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.501 -0.857 . . . . 0.63 112.827 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 8.8 tp10 -50.68 -45.78 58.37 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.268 0.556 . . . . 1.14 112.363 -172.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.47 -42.39 74.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 2.83 110.364 -174.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.41 -32.42 71.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.416 -0.357 . . . . 1.59 111.455 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.9 m -58.48 -42.17 86.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.482 -0.562 . . . . 1.15 109.482 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -66.38 -43.67 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.628 -0.715 . . . . 0.26 109.691 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 6.4 tp-100 -53.35 -50.21 65.51 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.259 -0.882 . . . . 0.74 111.708 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.15 -32.87 61.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.913 -0.315 . . . . 0.47 111.606 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.525 -0.307 . . . . 0.32 111.649 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 118' ' ' GLN . 9.7 tp -63.42 -36.7 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.22 110.186 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 76.0 mt-30 -60.4 -47.47 85.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.191 0.519 . . . . 1.0 109.851 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.7 m -60.49 -41.44 94.26 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.268 -0.878 . . . . 1.03 110.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -67.13 -45.78 76.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 0.18 110.088 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.491 ' HG2' HG13 ' A' ' 76' ' ' VAL . 50.1 mtp -58.4 -51.79 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.26 111.238 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.79 -18.01 61.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.22 -0.446 . . . . 1.34 111.114 -175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.58 -51.15 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.286 -0.415 . . . . 0.47 111.063 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 14.4 ptm -93.3 -26.7 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.769 0.319 . . . . 1.63 111.511 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.5 t -107.13 32.98 4.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.451 0.643 . . . . 1.11 109.784 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -58.21 130.47 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.422 -0.808 . . . . 3.86 110.83 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.433 -0.794 . . . . 4.4 110.472 -175.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 121.009 0.433 . . . . 1.81 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.99 94.61 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.388 -0.824 . . . . 0.97 112.094 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.1 -47.6 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.997 -0.372 . . . . 1.64 109.997 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.3 -48.26 76.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.891 -0.595 . . . . 2.69 111.533 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.1 tp -65.12 -37.45 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.59 110.435 -178.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 20' ' ' VAL . 59.0 ttt180 -62.09 -48.99 77.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.986 -0.375 . . . . 1.88 109.986 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.5 -39.6 76.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 1.78 111.599 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.0 ptpp? -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.156 -0.617 . . . . 1.61 110.905 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.722 ' HA ' HE21 ' A' ' 22' ' ' GLN . 0.7 OUTLIER -72.89 -39.92 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.99 111.145 -177.498 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 16' ' ' ARG . 31.6 m -66.74 -31.7 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.442 -0.344 . . . . 0.21 110.202 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.5 mmm -67.51 -37.75 83.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.821 0.343 . . . . 2.72 110.178 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.722 HE21 ' HA ' ' A' ' 19' ' ' LYS . 55.3 mt-30 -58.6 -45.26 89.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.119 172.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' HD23 ' A' ' 124' ' ' LEU . 43.3 m-85 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.38 111.199 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 36.0 ttt180 -61.91 -40.81 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.57 110.77 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -60.4 -37.62 81.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 2.87 110.28 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.47 -13.64 57.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.433 -0.803 . . . . 0.28 111.488 -176.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.36 -17.01 17.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.097 -0.501 . . . . 0.21 110.701 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.599 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 86.7 m -80.89 106.15 12.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.175 0.512 . . . . 0.2 110.382 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.599 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.3 mptp? -148.89 169.74 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.79 110.24 -171.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.58 126.91 62.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.177 -1.046 . . . . 1.03 108.177 164.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.44 155.65 7.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.02 -0.363 . . . . 0.26 110.02 -174.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -106.2 120.66 42.42 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.887 0.375 . . . . 0.67 110.247 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.2 mt -88.89 138.25 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 0.21 111.095 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -140.13 106.55 5.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.84 109.728 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 37' ' ' LEU . 5.2 t -168.98 -168.15 0.82 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.835 -0.346 . . . . 0.34 111.073 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -57.55 -24.76 57.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.25 0.548 . . . . 3.02 110.527 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB3' HG23 ' A' ' 35' ' ' THR . 61.4 tp -64.17 -59.07 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.276 -0.875 . . . . 1.0 109.829 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 175.15 -171.04 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.312 -0.625 . . . . 0.82 109.312 179.07 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 8.5 p -141.06 99.03 3.5 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.167 -0.309 . . . . 0.34 110.167 173.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.1 mt-10 -156.73 167.78 29.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.813 -0.63 . . . . 2.08 109.316 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 10.3 m -82.74 127.19 33.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.837 0.351 . . . . 0.32 110.609 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.5 m -125.76 158.83 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.326 -0.397 . . . . 0.23 110.413 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 27.9 ttpp -101.56 120.29 40.09 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.264 -0.643 . . . . 1.61 109.264 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.41 152.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 0.35 110.103 -173.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.1 t -177.01 -172.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.215 -0.661 . . . . 0.21 109.215 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -137.56 168.04 20.46 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.134 -0.321 . . . . 0.19 110.134 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.9 p -71.13 178.43 3.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.682 0.253 . . . . 1.15 111.682 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -69.34 -34.03 74.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.515 0.197 . . . . 2.1 111.478 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.86 -0.12 57.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.447 -0.342 . . . . 0.71 110.48 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 70.21 9.56 64.12 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 115.868 -0.605 . . . . 0.43 112.337 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.15 -29.82 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 1.99 110.998 -176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -121.36 145.74 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 1.49 111.47 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 47.6 t -104.2 120.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.143 -1.058 . . . . 0.34 108.143 168.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.496 ' HG3' HG23 ' A' ' 45' ' ' THR . 10.3 pt20 -126.31 160.74 29.52 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.943 0.401 . . . . 2.12 110.896 -174.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 16.3 p90 -146.85 159.83 43.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.377 0.608 . . . . 0.29 111.238 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 88.6 m-85 -119.27 102.6 8.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.098 -0.956 . . . . 0.53 109.015 176.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 mtmm -73.79 132.61 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.004 -0.543 . . . . 1.2 110.537 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 -101.2 0.79 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.91 -0.586 . . . . 1.35 111.725 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -144.02 50.52 1.33 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.733 -0.84 . . . . 4.98 108.733 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.28 135.71 54.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.907 -1.042 . . . . 3.89 111.136 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 p -66.19 137.02 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.455 -0.793 . . . . 2.95 112.319 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -77.33 117.16 18.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.641 -0.709 . . . . 1.69 111.178 175.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -52.71 127.98 35.53 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.743 -0.662 . . . . 1.99 114.028 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.78 6.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.839 0.681 . . . . 1.76 112.839 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 70.3 -42.96 0.53 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.508 0.723 . . . . 3.33 112.313 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.16 8.33 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.844 0.83 . . . . 2.86 110.697 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.512 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 10.0 mtt180 60.3 58.8 2.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.78 -1.1 . . . . 3.34 110.225 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -83.85 -15.25 48.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.69 0.757 . . . . 2.24 109.238 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.51 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 27.0 tptp -120.65 94.29 48.8 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.718 -1.128 . . . . 2.92 110.551 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.486 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 Cg_exo -81.31 166.27 18.3 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.225 2.616 . . . . 0.59 111.503 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.411 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 23.0 t -92.59 4.79 52.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.524 0.678 . . . . 1.02 109.724 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.82 165.48 19.97 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.286 -1.126 . . . . 0.26 110.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 53' ' ' VAL . . . 170.46 155.6 10.5 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.917 -1.135 . . . . 0.4 113.051 -178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -145.73 153.86 51.14 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.741 -0.466 . . . . 0.21 109.741 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 6.5 Cg_exo -71.98 139.44 32.98 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.452 2.102 . . . . 0.25 112.287 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 49.9 t -65.16 -36.91 78.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.64 -1.164 . . . . 0.3 111.87 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.28 -17.25 60.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.182 0.515 . . . . 1.29 110.698 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.3 mptp? -91.52 -7.62 49.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.194 -0.457 . . . . 1.54 111.496 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 17.0 mt -64.95 124.58 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.461 -0.57 . . . . 0.26 109.461 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.46 ' H ' ' HA ' ' A' ' 96' ' ' VAL . 11.4 t -84.39 -39.03 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.603 -0.439 . . . . 0.28 111.023 -174.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -160.24 136.3 8.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.963 0.411 . . . . 0.88 111.495 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.507 HG21 ' SD ' ' A' ' 125' ' ' MET . 52.3 t -118.96 106.5 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.842 -0.617 . . . . 1.36 109.426 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -124.61 167.54 14.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.496 0.665 . . . . 1.7 111.698 -175.539 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.1 p -108.29 154.16 22.2 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.741 -0.837 . . . . 0.72 108.741 168.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.504 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.84 172.65 1.25 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.282 0.087 . . . . 0.47 111.215 -178.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.83 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 0.72 111.081 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.49 -25.06 10.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 1.59 110.247 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 91' ' ' VAL . 8.4 p30 33.03 44.53 0.05 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.714 1.376 . . . . 1.14 114.714 173.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.3 m -51.17 -58.0 7.29 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.323 -0.551 . . . . 0.68 110.194 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.519 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 5.0 ptpp? -116.91 4.62 12.88 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.783 1.031 . . . . 1.47 113.783 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.7 t -110.25 135.47 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.701 1.0 . . . . 0.39 113.701 -168.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.8 mp -112.61 152.44 28.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.649 -0.705 . . . . 0.22 110.009 173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.7 p -132.18 109.84 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.741 0.781 . . . . 0.24 111.614 178.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.467 HG13 HG13 ' A' ' 82' ' ' VAL . 2.1 mp -121.04 132.49 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.18 109.822 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -124.82 144.21 50.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 0.2 110.589 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.46 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.3 p -120.14 144.96 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.14 110.86 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.402 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 49.8 t-20 -131.77 97.05 4.09 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.827 0.346 . . . . 1.87 111.112 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.643 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.8 t30 165.34 -56.42 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.646 0 O-C-N 124.736 1.273 . . . . 0.75 108.475 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.9 173.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.221 1.948 . . . . 0.4 110.575 157.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 13.5 pt20 -59.24 126.57 82.22 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.373 -0.603 . . . . 1.87 109.373 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 52.9 Cg_exo -51.65 111.78 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.242 2.628 . . . . 0.57 112.866 -171.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -140.36 145.93 37.77 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.457 -0.792 . . . . 0.33 109.922 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.2 m -121.37 108.5 13.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.201 -0.666 . . . . 0.28 109.201 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.35 122.12 32.27 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.683 -0.69 . . . . 0.3 110.535 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 28.9 m-80 -104.98 103.79 13.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.563 -0.744 . . . . 0.46 109.721 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.771 -1.104 . . . . 0.34 109.616 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.462 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 23.3 m -119.97 137.21 54.2 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.945 -0.571 . . . . 0.39 110.426 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -140.19 167.64 21.67 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.054 -0.721 . . . . 0.39 109.054 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 28.8 tttt -65.89 -45.88 80.42 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.044 0.449 . . . . 1.94 110.22 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.571 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 37.6 t -71.91 112.28 13.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 1.03 111.683 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 109' ' ' LYS . 27.8 Cg_exo -62.49 4.84 0.3 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.596 2.864 . . . . 1.09 112.861 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.63 -39.65 1.57 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.702 -0.761 . . . . 0.63 112.073 172.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.26 -52.04 64.7 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.544 0.572 . . . . 1.14 112.544 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.583 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -69.02 -45.33 70.77 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.821 -0.352 . . . . 2.83 111.221 -173.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.32 -33.56 74.91 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.753 0.279 . . . . 1.59 111.753 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -39.97 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.941 -0.392 . . . . 1.15 109.941 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.57 -41.5 92.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.401 -0.592 . . . . 0.26 109.401 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.3 tp-100 -53.34 -52.45 59.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.855 -1.066 . . . . 0.74 112.052 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.53 -31.56 62.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.021 0.439 . . . . 0.47 110.975 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.521 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.5 mm100 -69.46 -45.56 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 0.32 111.788 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.7 -44.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 0.22 110.752 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 7.7 pt20 -70.04 -27.98 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.902 -176.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.8 m -68.33 -42.04 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 1.03 110.212 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -63.66 -43.15 97.58 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.554 -0.536 . . . . 0.18 109.554 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 56.4 mtp -55.67 -52.91 62.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.26 110.972 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -65.5 -39.24 91.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.651 -0.704 . . . . 1.34 111.014 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.86 -39.45 62.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.988 0.366 . . . . 0.47 111.988 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.5 ptp -105.99 -23.87 12.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.043 0.386 . . . . 1.63 112.043 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.4 t -94.56 -10.19 32.86 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.184 -0.206 . . . . 1.11 111.52 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 43.8 mtm -69.18 93.38 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.134 0.492 . . . . 3.86 110.282 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 37.4 pttt . . . . . 0 C--N 1.316 -0.883 0 CA-C-N 115.813 -0.631 . . . . 4.4 110.413 -178.492 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.433 ' O ' HG22 ' A' ' 15' ' ' ILE . 19.2 m . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 109.993 -0.373 . . . . 1.81 109.993 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.45 -56.86 10.96 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.235 0.828 . . . . 0.97 113.235 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -69.56 -40.78 76.59 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.82 0.343 . . . . 1.64 111.607 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.5 -45.95 77.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 2.69 111.285 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.9 tp -67.06 -37.52 79.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.59 110.346 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.6 ttm180 -59.86 -43.89 94.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.285 -0.416 . . . . 1.88 111.173 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.6 mtm -58.47 -40.02 81.58 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.961 -0.296 . . . . 1.78 111.406 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 21' ' ' MET . 18.6 ptpt -77.33 -34.92 55.21 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.489 -0.484 . . . . 1.61 110.796 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.809 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.9 tmtp? -74.47 -32.31 62.54 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.592 0.357 . . . . 0.99 111.368 -172.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.8 m -63.87 -29.62 47.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.401 -0.592 . . . . 0.21 109.401 173.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.708 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 65.6 mtt -57.02 -41.59 78.86 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.415 0.447 . . . . 2.72 110.709 174.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.809 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 1.9 mp0 -56.09 -50.68 70.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.256 0.551 . . . . 1.05 110.916 171.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' HD23 ' A' ' 124' ' ' LEU . 57.5 m-85 -68.8 -28.82 67.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.221 -0.9 . . . . 0.38 111.478 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 31.7 ttt180 -65.84 -36.99 85.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 0.57 110.77 -175.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.17 -31.37 69.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 2.87 110.234 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -81.71 -17.86 46.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.766 -0.652 . . . . 0.28 110.924 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.73 -14.55 19.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 0.21 111.109 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.623 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.4 m -85.23 104.7 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.054 0.454 . . . . 0.2 109.967 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.3 mptm? -147.59 167.02 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.504 -0.771 . . . . 0.79 109.73 -175.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 127.87 55.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.542 -0.91 . . . . 1.03 108.542 168.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.84 149.51 14.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.895 0.378 . . . . 0.26 110.211 -174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -101.5 122.05 43.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.946 0.403 . . . . 0.67 110.421 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 20.8 mt -87.82 140.9 29.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.21 111.056 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 35.0 mtmt -143.43 106.21 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.84 109.919 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.6 t -169.19 -165.84 0.57 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.283 -0.266 . . . . 0.34 110.283 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.74 -19.56 65.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.483 0.659 . . . . 3.02 109.888 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 34.1 tp -63.96 -65.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.329 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 6.0 p90 -179.24 -174.88 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.589 -0.732 . . . . 0.82 109.774 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.7 p -129.46 99.89 5.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.269 -0.641 . . . . 0.34 109.269 170.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.2 159.08 43.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.59 . . . . 2.08 109.654 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 25.4 m -87.5 123.38 32.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.908 0.385 . . . . 0.32 110.003 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.86 159.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.938 -0.574 . . . . 0.23 110.006 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -103.82 122.37 44.99 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.955 -0.758 . . . . 1.61 108.955 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.53 155.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.738 -0.467 . . . . 0.35 109.738 -174.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -174.05 -179.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.273 -0.64 . . . . 0.21 109.273 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 17.3 p -124.36 170.91 10.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.463 -0.569 . . . . 0.19 109.463 173.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -71.86 -178.8 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.017 -0.273 . . . . 1.15 110.979 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.07 -28.51 65.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 2.1 110.347 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' C ' HG21 ' A' ' 20' ' ' VAL . 15.1 m-20 -94.09 0.17 55.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.71 110.228 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' O ' HG21 ' A' ' 76' ' ' VAL . . . 74.53 0.15 57.46 Favored Glycine 0 C--O 1.222 -0.608 0 C-N-CA 121.052 -0.594 . . . . 0.43 112.67 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.38 -16.83 58.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.677 0.621 . . . . 1.99 112.677 -170.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -125.62 144.73 50.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.538 0.209 . . . . 1.49 110.905 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 76' ' ' VAL . 61.6 t -106.13 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.517 -0.92 . . . . 0.34 108.517 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -121.75 160.92 23.55 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.75 0.31 . . . . 2.12 110.26 -175.236 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p90 -140.52 141.72 35.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.747 0.784 . . . . 0.29 111.845 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HB3' ' O ' ' A' ' 60' ' ' SER . 67.7 m-85 -102.15 101.14 11.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.759 -1.11 . . . . 0.53 108.554 175.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 59' ' ' LYS . 85.2 mttt -63.87 163.47 11.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.47 -0.567 . . . . 1.2 109.47 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.95 32.96 0.63 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 121.029 -0.605 . . . . 1.35 113.477 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 57' ' ' LYS . 35.9 mtmt -136.78 6.62 2.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.938 -0.764 . . . . 4.98 108.938 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 56' ' ' PHE . 66.1 m -156.24 116.66 3.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.046 -0.979 . . . . 3.89 109.382 177.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.4 m -88.48 -50.2 6.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.694 0.283 . . . . 2.95 111.382 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.9 132.55 2.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 1.69 111.086 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.439 ' N ' ' HA ' ' A' ' 67' ' ' ARG . . . -74.18 112.17 3.67 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.936 -0.575 . . . . 1.99 112.95 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.38 48.72 21.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.317 0.647 . . . . 1.76 112.047 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 71.71 -49.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.679 0.792 . . . . 3.33 112.399 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.463 ' HB2' ' HD2' ' A' ' 68' ' ' LYS . 26.7 m-20 -81.1 11.64 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.233 0.54 . . . . 2.86 111.594 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HA ' ' N ' ' A' ' 63' ' ' GLY . 11.9 mtt180 55.61 58.71 4.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.99 -1.004 . . . . 3.34 112.578 175.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HD2' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -102.52 22.0 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.41 -0.516 . . . . 2.24 110.738 177.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 16.1 tppt? -134.12 76.75 63.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.915 0.388 . . . . 2.92 111.522 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HG2' ' OE1' ' A' ' 54' ' ' GLN . 7.3 Cg_exo -73.5 144.55 36.32 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 122.181 1.921 . . . . 0.59 110.074 167.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -92.35 9.7 32.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.383 0.611 . . . . 1.02 110.141 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.04 167.22 30.2 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.397 -0.82 . . . . 0.26 111.087 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.55 170.36 32.25 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.686 -0.768 . . . . 0.4 112.236 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.712 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -155.9 155.24 29.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.114 -0.328 . . . . 0.21 110.114 177.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.535 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 13.6 Cg_exo -68.29 139.41 45.72 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.796 2.331 . . . . 0.25 112.882 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 50' ' ' GLY . 47.4 t -64.91 -37.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 114.988 -1.005 . . . . 0.3 111.592 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.75 -20.87 64.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 1.29 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 2.6 mptp? -94.15 -7.15 43.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 1.54 111.92 -174.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.712 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.2 mt -64.91 116.23 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.687 -0.486 . . . . 0.26 109.687 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.568 ' HB ' HD22 ' A' ' 97' ' ' ASN . 11.6 t -79.88 -36.15 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.779 -0.368 . . . . 0.28 111.206 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.0 m -157.77 136.04 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.016 0.436 . . . . 0.88 111.502 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.7 t -121.9 107.43 19.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.669 -0.863 . . . . 1.36 108.669 173.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -130.92 165.57 22.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.669 0.747 . . . . 1.7 110.738 -177.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 p -109.01 153.97 22.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.3 -0.864 . . . . 0.72 108.879 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.6 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -62.13 179.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.799 0.296 . . . . 0.47 111.799 -178.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.22 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.852 0.358 . . . . 0.72 111.351 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.35 -22.01 8.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.059 -0.719 . . . . 1.59 109.059 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.6 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.4 p-10 41.17 48.4 3.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.065 -0.971 . . . . 1.14 113.191 172.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -47.41 -67.47 0.27 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.68 110.128 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.631 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 5.1 ptpp? -115.15 6.75 15.19 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.128 0.418 . . . . 1.47 112.128 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.1 t -107.91 124.16 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 113.298 0.851 . . . . 0.39 113.298 -166.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 9.0 mp -111.6 152.11 27.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 0.22 110.107 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.477 ' C ' HD12 ' A' ' 94' ' ' ILE . 1.9 p -133.2 110.87 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.543 0.687 . . . . 0.24 111.536 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.6 mp -124.7 131.63 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.654 . . . . 0.18 110.587 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.4 m -124.03 146.19 48.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.635 0.255 . . . . 0.2 110.77 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 p -120.58 146.48 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 111.778 0.288 . . . . 0.14 111.778 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.568 HD22 ' HB ' ' A' ' 80' ' ' THR . 6.5 p30 -117.58 150.26 39.29 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.731 -0.47 . . . . 1.87 109.731 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.0 t30 94.18 -65.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.98 1.312 . . . . 0.75 111.381 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 52.4 Cg_exo -58.73 171.65 1.92 Allowed 'Trans proline' 0 C--N 1.366 1.456 0 CA-C-N 121.337 1.513 . . . . 0.4 110.755 163.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.43 116.9 19.95 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.63 -0.507 . . . . 1.87 109.63 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.74 120.25 5.71 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.508 2.805 . . . . 0.57 113.015 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.7 m -144.68 141.96 29.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.882 -1.054 . . . . 0.33 109.658 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 60.4 m -119.74 108.85 14.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.331 0.586 . . . . 0.28 109.995 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -91.61 126.2 36.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.758 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.643 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.0 106.11 16.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.212 -0.662 . . . . 0.46 109.212 175.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 94' ' ' ILE . 58.9 m-85 -84.74 111.53 19.68 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 0.34 109.343 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.525 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 35.8 m -120.31 137.43 54.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.778 -0.646 . . . . 0.39 110.719 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -140.81 174.03 10.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.747 -0.464 . . . . 0.39 109.747 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -65.94 -53.19 42.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.988 0.899 . . . . 1.94 109.075 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 15.9 m -75.27 110.1 9.4 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 113.449 -1.705 . . . . 1.03 111.191 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.2 5.94 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.554 2.836 . . . . 1.09 113.066 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.89 -32.09 3.18 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.834 -0.698 . . . . 0.63 111.646 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 10.4 tp10 -60.58 -51.76 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.28 0.474 . . . . 1.14 112.28 -171.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.635 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -60.01 -40.98 91.1 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.892 0.377 . . . . 2.83 110.711 -177.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.592 ' H ' ' NH1' ' A' ' 114' ' ' ARG . 37.2 mt-10 -68.52 -35.05 76.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.467 -0.333 . . . . 1.59 111.808 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.76 -34.42 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.705 -0.48 . . . . 1.15 109.705 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -72.78 -47.63 45.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.26 109.551 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.4 tp-100 -50.98 -51.11 56.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.676 -1.147 . . . . 0.74 112.153 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.59 -34.19 67.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.949 0.404 . . . . 0.47 111.326 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.491 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.3 mm100 -73.72 -40.36 63.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.32 112.183 -174.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.13 -38.17 81.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.22 110.568 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.14 -41.34 99.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 1.0 110.338 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.7 m -61.99 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 1.03 110.621 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -65.43 -46.36 80.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.47 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 46.4 mtp -56.32 -52.51 64.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.26 111.291 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 130' ' ' MET . 33.6 mmtp -73.4 -17.58 61.25 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.847 -0.615 . . . . 1.34 111.658 -174.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -71.0 -46.4 62.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.989 0.423 . . . . 0.47 111.002 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.3 ptp -98.2 -36.73 9.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.312 -0.404 . . . . 1.63 111.549 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -91.02 32.2 1.03 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.571 0.7 . . . . 1.11 109.891 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.661 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 24.6 ptt? -81.55 126.87 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.884 -0.598 . . . . 3.86 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.406 -0.807 . . . . 4.4 109.563 177.832 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 17.0 t . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.606 -0.516 . . . . 1.81 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.19 90.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.701 -0.681 . . . . 0.97 111.443 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 17' ' ' MET . 75.4 m -67.57 -45.46 75.53 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.893 -0.594 . . . . 1.64 111.115 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 35.6 t70 -68.16 -46.02 71.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 2.69 111.256 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 tp -63.39 -35.61 72.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.59 110.226 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.8 ttm180 -60.23 -51.25 70.37 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 110.337 -0.246 . . . . 1.88 110.337 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 13' ' ' SER . 55.1 mtt -56.07 -35.7 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.833 0.825 . . . . 1.78 110.028 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.65 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 22.0 tptt -72.64 -38.72 67.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.416 -1.266 . . . . 1.61 111.368 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.698 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 4.7 tmtp? -76.6 -41.05 47.56 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.071 -0.393 . . . . 0.99 111.216 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 16' ' ' ARG . 21.2 m -66.58 -30.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.817 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptm -67.63 -31.61 71.74 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.459 . . . . 2.72 109.804 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.698 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 32.7 mt-30 -66.05 -49.67 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 1.05 108.978 174.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.695 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 37.4 m-85 -64.2 -36.33 83.72 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.38 111.043 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 38.1 ttt180 -57.31 -44.29 84.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.57 110.082 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.17 -38.14 89.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 2.87 110.756 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' O ' ' HE2' ' A' ' 29' ' ' LYS . . . -77.18 -16.4 59.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.28 111.395 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.17 -18.28 18.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.07 -0.514 . . . . 0.21 110.773 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.9 m -75.95 104.85 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.47 . . . . 0.2 110.066 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' A' ' 28' ' ' THR . 5.4 mptp? -146.26 165.4 29.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.449 -0.796 . . . . 0.79 109.568 -174.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -103.37 129.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 N-CA-C 107.994 -1.113 . . . . 1.03 107.994 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' CG2' HH22 ' A' ' 114' ' ' ARG . 2.2 t -150.24 148.91 14.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.279 -0.419 . . . . 0.26 110.96 -168.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.6 tmtp? -102.81 117.1 33.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.862 -0.422 . . . . 0.67 109.862 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 39' ' ' SER . 19.7 mt -85.99 142.1 29.02 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.92 -0.582 . . . . 0.21 110.676 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.8 mtmt -142.48 105.43 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.939 -0.573 . . . . 0.84 110.064 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.6 t -169.01 -173.81 1.89 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.29 -0.414 . . . . 0.34 109.938 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -66.63 -9.76 39.05 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.128 0.49 . . . . 3.02 110.938 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HB3' HG23 ' A' ' 35' ' ' THR . 24.6 tp -65.73 -60.79 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 169.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 13.0 p90 178.64 178.19 0.43 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.023 -0.99 . . . . 0.82 109.726 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.9 p -126.57 101.33 6.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.315 -0.624 . . . . 0.34 109.315 170.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -155.18 163.25 40.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.934 -0.575 . . . . 2.08 110.511 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.0 m -87.84 122.11 31.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.945 -0.57 . . . . 0.32 109.816 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.5 174.3 9.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.764 -0.653 . . . . 0.23 109.697 -175.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -120.26 126.17 49.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.899 -0.778 . . . . 1.61 108.899 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.64 158.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 110.359 -0.237 . . . . 0.35 110.359 -172.393 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 54' ' ' GLN . 14.9 t 177.21 -171.43 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.571 -0.9 . . . . 0.21 108.571 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 28.4 p -136.04 167.69 20.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.643 -0.503 . . . . 0.19 109.643 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -71.34 171.69 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.443 -0.206 . . . . 1.15 110.443 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -63.44 -36.7 84.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.41 0.522 . . . . 2.1 112.41 -172.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.45 5.68 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.634 0.254 . . . . 0.71 111.369 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.91 70.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.43 112.595 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.63 -33.61 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.391 . . . . 1.99 110.91 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -120.99 148.29 44.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 1.49 111.395 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 76' ' ' VAL . 48.4 t -101.53 119.97 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.85 -1.167 . . . . 0.34 107.85 166.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 45' ' ' THR . 3.4 pt20 -126.62 156.11 41.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.667 0.27 . . . . 2.12 110.552 -171.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -141.92 149.03 39.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.622 0.725 . . . . 0.29 112.038 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.489 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 58.7 m-85 -108.41 102.54 11.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.845 -1.07 . . . . 0.53 109.241 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' HE2' ' OG ' ' A' ' 71' ' ' SER . 46.6 mtmt -68.45 124.55 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 1.2 111.126 -175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.56 -100.96 0.21 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.922 -0.581 . . . . 1.35 113.434 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.92 31.87 6.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.782 0.325 . . . . 4.98 110.772 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 56' ' ' PHE . 70.5 m -62.65 136.92 58.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.225 -0.443 . . . . 3.89 110.189 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -65.76 130.19 42.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.433 . . . . 2.95 110.875 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -84.41 66.58 9.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.028 -0.533 . . . . 1.69 110.832 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.61 -146.41 2.5 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.153 -0.93 . . . . 1.99 113.719 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -98.02 58.75 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.162 -0.31 . . . . 1.76 110.162 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 72.62 -31.24 0.22 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.655 -0.702 . . . . 3.33 110.592 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 64' ' ' ALA . 3.6 m-20 -83.1 -11.38 58.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.715 0.769 . . . . 2.86 110.469 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.565 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 64.2 mtt180 59.63 52.29 5.73 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.058 -1.428 . . . . 3.34 113.286 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -98.08 29.19 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.429 -0.508 . . . . 2.24 110.486 175.461 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -134.64 73.55 67.3 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.848 0.356 . . . . 2.92 110.472 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' CB ' ' HB2' ' A' ' 54' ' ' GLN . 60.2 Cg_endo -84.59 167.18 11.75 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.613 2.209 . . . . 0.59 112.217 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 57' ' ' LYS . 4.8 t -109.34 23.02 15.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.82 0.819 . . . . 1.02 109.399 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.6 154.36 8.08 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.946 -1.024 . . . . 0.26 110.612 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.86 165.24 29.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.247 -0.978 . . . . 0.4 112.995 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.633 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -151.7 153.4 31.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.057 -0.349 . . . . 0.21 110.057 178.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.29 136.73 38.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.865 2.377 . . . . 0.25 112.565 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 53' ' ' VAL . 84.3 t -65.03 -38.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.049 -0.978 . . . . 0.3 111.668 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.03 -13.06 62.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.396 0.617 . . . . 1.29 110.665 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -100.08 -5.99 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 1.54 111.72 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.633 HG12 ' CE2' ' A' ' 74' ' ' PHE . 13.8 mt -64.86 125.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.647 -0.501 . . . . 0.26 109.647 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.7 t -87.09 -34.97 18.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.698 -0.401 . . . . 0.28 110.933 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.49 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 73.8 m -160.22 131.09 5.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.887 0.375 . . . . 0.88 111.711 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.511 HG12 ' OE1' ' A' ' 118' ' ' GLN . 55.1 t -111.08 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.047 -1.094 . . . . 1.36 108.047 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -132.32 166.82 21.06 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.482 -0.781 . . . . 1.7 110.344 -171.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -114.73 153.99 29.3 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.504 -0.554 . . . . 0.72 109.504 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.577 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.72 -174.39 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.279 0.474 . . . . 0.47 112.279 -178.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.24 70.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.068 -0.253 . . . . 0.72 110.934 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.03 -25.64 11.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.638 -0.505 . . . . 1.59 109.638 176.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.577 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.9 p-10 32.75 43.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.114 1.524 . . . . 1.14 115.114 170.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.1 m -56.98 -65.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.176 -0.61 . . . . 0.68 109.557 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 16.0 ptpt -113.76 12.5 18.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.316 -0.402 . . . . 1.47 111.211 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.504 HG12 ' NE2' ' A' ' 85' ' ' GLN . 3.3 t -109.08 105.29 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.39 112.231 -170.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 114' ' ' ARG . 5.0 mp -98.38 151.29 20.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.909 -0.587 . . . . 0.22 110.493 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.591 HG23 ' CG2' ' A' ' 103' ' ' THR . 1.8 p -133.02 109.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.779 0.799 . . . . 0.24 110.802 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.1 mp -120.04 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.572 -0.74 . . . . 0.18 110.201 -177.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 143.52 46.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.848 0.356 . . . . 0.2 110.249 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.8 p -118.67 142.64 32.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.243 -0.435 . . . . 0.14 110.631 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.481 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 19.4 t-20 -131.28 95.78 3.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.178 0.513 . . . . 1.87 111.276 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.628 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.4 t30 168.22 -54.46 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.045 -1.434 . . . . 0.75 107.804 172.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 31.9 Cg_exo -60.79 172.95 2.49 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.837 1.692 . . . . 0.4 109.872 153.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 pt20 -60.5 130.04 89.76 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.003 -0.74 . . . . 1.87 109.003 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 100' ' ' GLN . 51.8 Cg_exo -53.8 111.68 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.634 2.223 . . . . 0.57 112.417 -173.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 m -137.37 139.49 40.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.257 -0.883 . . . . 0.33 109.643 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.591 ' CG2' HG23 ' A' ' 93' ' ' VAL . 65.7 m -115.76 109.33 17.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.285 0.564 . . . . 0.28 110.523 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -90.33 122.54 33.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.656 -0.702 . . . . 0.3 110.469 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.99 105.27 15.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.621 -0.511 . . . . 0.46 109.621 177.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -84.58 109.68 18.14 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.498 -0.556 . . . . 0.34 109.498 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.551 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 8.6 m -121.02 136.01 55.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.831 -0.622 . . . . 0.39 111.099 -175.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 114' ' ' ARG . 8.6 t80 -141.73 172.02 13.26 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 0.39 109.86 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 5.7 tmmm? -66.17 -28.82 69.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.411 0.624 . . . . 1.94 109.59 175.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 34.0 t -96.49 113.12 62.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 1.03 110.067 -174.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 33.0 Cg_exo -61.7 -35.87 77.7 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.559 2.173 . . . . 1.09 111.453 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.31 76.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.63 111.843 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 5.7 tp10 -63.14 -51.36 66.76 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.404 0.621 . . . . 1.14 110.008 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.655 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -70.83 -37.03 73.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.379 -0.828 . . . . 2.83 111.563 -179.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 54.1 mt-10 -59.25 -43.99 92.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.731 -0.387 . . . . 1.59 110.73 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.2 m -67.07 -35.2 79.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.958 -0.564 . . . . 1.15 110.791 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.25 -46.23 71.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.26 109.86 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.519 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.2 tp-100 -53.35 -47.09 69.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.908 -1.042 . . . . 0.74 111.913 -178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.41 -37.77 60.27 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.765 0.283 . . . . 0.47 111.765 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.434 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.9 mm100 -63.09 -47.57 82.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.778 0.323 . . . . 0.32 111.863 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.07 -38.4 76.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 0.22 111.136 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.401 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.6 mt-30 -65.21 -38.33 90.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.668 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 m -65.97 -37.24 85.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 1.03 110.621 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.1 tm? -66.57 -43.1 85.92 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.619 -0.511 . . . . 0.18 109.619 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 82' ' ' VAL . 44.7 mtp -59.78 -50.9 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.26 111.013 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 130' ' ' MET . 47.5 mmtm -69.23 -18.24 63.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.934 -0.575 . . . . 1.34 111.2 -177.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 72.4 t80 -71.66 -52.23 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.025 -0.534 . . . . 0.47 111.531 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -100.93 -22.38 14.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 1.63 111.914 -172.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.4 t -102.31 25.69 8.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.562 0.696 . . . . 1.11 109.352 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.434 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 13.2 ptp -62.76 135.18 57.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.261 -0.881 . . . . 3.86 110.895 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.424 -0.798 . . . . 4.4 109.664 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 11.7 t . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.792 0.33 . . . . 1.81 110.115 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.0 70.85 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.831 -0.622 . . . . 0.97 111.743 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m -78.17 -43.14 29.47 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.13 -0.486 . . . . 1.64 110.858 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 4.5 m-20 -72.68 -36.56 67.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 2.69 111.482 -176.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.0 tp -62.81 -37.86 80.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.59 109.827 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.7 ttt180 -63.73 -45.71 88.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.983 -0.553 . . . . 1.88 110.407 177.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -56.75 -41.79 78.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.405 -0.361 . . . . 1.78 111.26 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.7 ptpt -74.53 -34.7 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.448 -0.501 . . . . 1.61 110.2 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.618 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.7 tmtp? -74.27 -38.5 63.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.99 111.392 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.4 m -66.51 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 110.286 -0.264 . . . . 0.21 110.286 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.6 mmm -64.88 -31.92 73.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.761 0.315 . . . . 2.72 110.541 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.618 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.4 mt-30 -66.62 -46.65 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.34 -0.615 . . . . 1.05 109.34 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CD1' HD23 ' A' ' 124' ' ' LEU . 54.0 m-85 -65.83 -36.55 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.405 -0.816 . . . . 0.38 110.489 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 39.6 ttt180 -57.52 -40.24 78.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.098 -0.956 . . . . 0.57 111.274 -177.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -65.75 -35.99 82.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.333 -0.394 . . . . 2.87 111.174 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -79.53 -13.75 59.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.284 0.564 . . . . 0.28 110.744 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.28 -12.66 20.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.342 -0.844 . . . . 0.21 110.994 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.707 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 78.1 m -95.36 103.95 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.2 111.404 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.8 173.99 15.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.294 -0.866 . . . . 0.79 112.991 -176.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -98.07 124.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.064 -0.971 . . . . 1.03 108.715 171.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.2 t -149.05 148.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.77 -0.456 . . . . 0.26 109.77 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.4 tmtp? -102.6 118.49 36.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.105 0.478 . . . . 0.67 110.571 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 39' ' ' SER . 25.6 mt -85.72 141.96 29.34 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.778 -0.647 . . . . 0.21 110.677 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.5 mtmt -143.69 106.29 4.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.615 -0.721 . . . . 0.84 109.976 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.4 t -168.77 -166.89 0.7 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.786 -0.45 . . . . 0.34 109.786 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -68.47 -13.01 62.01 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.571 0.7 . . . . 3.02 110.102 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 35' ' ' THR . 19.3 tp -64.92 -59.93 3.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.007 -0.997 . . . . 1.0 108.913 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.2 p90 174.81 -178.49 0.1 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.052 -0.976 . . . . 0.82 109.207 176.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 24.8 p -130.63 100.49 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.425 -0.583 . . . . 0.34 109.425 171.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 10.3 mm-40 -155.22 159.24 39.92 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.961 -0.563 . . . . 2.08 109.748 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 87.3 m -83.02 123.74 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.994 0.426 . . . . 0.32 109.919 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.66 156.45 35.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.842 -0.617 . . . . 0.23 109.823 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 37.2 ttpt -101.06 123.47 45.29 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.672 -0.492 . . . . 1.61 109.672 173.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.0 158.29 4.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.762 -174.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -176.36 -172.02 0.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.698 -0.853 . . . . 0.21 108.698 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.8 p -142.83 167.73 21.39 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.975 -0.29 . . . . 0.19 110.564 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.544 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 14.1 t -58.1 158.49 6.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 1.15 111.382 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -65.33 -20.94 66.63 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.66 -0.7 . . . . 2.1 111.02 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -108.23 9.01 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.71 110.538 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.17 23.94 68.41 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.43 112.727 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.77 -26.84 29.31 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.651 -0.323 . . . . 1.99 111.666 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' H ' ' HB3' ' A' ' 47' ' ' SER . 41.9 mt-10 -132.87 156.02 47.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.436 -0.347 . . . . 1.49 111.393 -175.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.8 t -111.43 122.95 66.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.266 -1.013 . . . . 0.34 108.266 168.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 2.6 mm-40 -118.39 161.52 19.82 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.348 -0.242 . . . . 2.12 110.348 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 11.4 p90 -148.34 149.36 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.551 0.691 . . . . 0.29 111.711 172.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 68.8 m-85 -114.77 114.13 25.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.008 -0.996 . . . . 0.53 109.205 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -82.74 130.36 35.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.2 111.46 -171.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.96 -119.94 5.46 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.041 -0.599 . . . . 1.35 112.886 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -82.05 -72.59 0.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.887 0.375 . . . . 4.98 110.978 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.9 t -165.7 124.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.063 -0.517 . . . . 3.89 110.086 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -118.69 12.35 13.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.125 0.488 . . . . 2.95 109.96 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -57.53 124.54 19.36 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.446 -0.797 . . . . 1.69 112.429 -174.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.09 116.13 8.9 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.18 -0.918 . . . . 1.99 113.015 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.54 35.8 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 124.279 0.635 . . . . 1.76 112.21 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 71.44 -39.26 0.44 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.681 0.793 . . . . 3.33 112.304 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -76.35 1.24 16.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.406 0.622 . . . . 2.86 110.955 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.472 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.9 mtm180 68.31 60.98 0.39 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 114.755 -1.111 . . . . 3.34 111.869 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.21 18.88 20.59 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.122 0.487 . . . . 2.24 110.485 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -149.91 90.45 4.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 2.92 109.957 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 9.6 Cg_exo -73.29 157.48 49.86 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.466 2.11 . . . . 0.59 112.059 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -93.98 3.27 55.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.567 0.699 . . . . 1.02 109.24 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.14 160.72 22.86 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 110.163 -1.175 . . . . 0.26 110.163 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.19 168.36 27.22 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.235 -0.983 . . . . 0.4 112.732 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -158.37 154.58 23.92 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 109.89 -0.411 . . . . 0.21 109.89 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.492 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 14.1 Cg_exo -68.09 138.66 44.33 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.693 2.262 . . . . 0.25 112.315 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.484 HG22 HG23 ' A' ' 53' ' ' VAL . 70.4 t -64.79 -37.52 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.022 -0.99 . . . . 0.3 111.034 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.84 -22.83 64.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.767 -0.651 . . . . 1.29 110.714 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.492 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -87.69 -8.43 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 1.54 111.895 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.631 HG12 ' CE2' ' A' ' 74' ' ' PHE . 27.1 mt -63.39 123.0 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.822 -0.436 . . . . 0.26 109.822 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.46 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 15.2 t -87.45 -33.96 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.62 -0.432 . . . . 0.28 110.904 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m -158.93 135.41 9.28 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.816 0.341 . . . . 0.88 111.626 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.456 HG21 ' SD ' ' A' ' 125' ' ' MET . 79.0 t -118.67 107.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.178 -1.045 . . . . 1.36 108.178 171.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.745 ' HG3' HG13 ' A' ' 93' ' ' VAL . 13.2 pttt -132.2 168.3 18.28 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.348 -0.842 . . . . 1.7 111.085 -172.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.5 p -122.94 154.3 38.56 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.719 -0.673 . . . . 0.72 109.474 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.29 -176.02 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.961 0.726 . . . . 0.47 112.961 -174.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.96 90.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 0.72 111.077 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.14 -24.57 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 1.59 109.118 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 4.6 p-10 37.21 51.69 1.1 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.447 -1.252 . . . . 1.14 113.172 174.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.1 m -52.38 -66.83 0.32 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.594 -0.521 . . . . 0.68 109.594 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 15.4 ptpt -115.01 1.44 13.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.939 -0.573 . . . . 1.47 112.394 173.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.507 HG12 ' NE2' ' A' ' 85' ' ' GLN . 12.4 t -99.46 123.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.879 0.696 . . . . 0.39 112.879 -170.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.5 mp -106.2 151.83 24.26 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.22 110.022 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.745 HG13 ' HG3' ' A' ' 83' ' ' LYS . 1.6 p -134.32 111.94 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.654 0.74 . . . . 0.24 110.711 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 93' ' ' VAL . 1.9 mp -123.01 131.8 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.138 -0.483 . . . . 0.18 109.786 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -123.66 142.64 50.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.987 0.422 . . . . 0.2 110.499 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' A' ' 99' ' ' PRO . 2.2 p -118.76 144.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.128 -0.487 . . . . 0.14 110.213 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 44.6 t-20 -131.67 96.65 4.01 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.459 -0.497 . . . . 1.87 111.587 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 163.06 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.149 1.38 . . . . 0.75 108.504 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 49.7 Cg_exo -59.07 171.0 2.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.907 1.738 . . . . 0.4 110.302 159.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.18 116.22 18.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.882 -0.414 . . . . 1.87 109.882 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.28 116.35 0.46 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.187 3.258 . . . . 0.57 114.014 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -145.93 135.28 22.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.437 -0.801 . . . . 0.33 109.584 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 93' ' ' VAL . 86.3 m -112.08 113.3 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.193 0.52 . . . . 0.28 110.103 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -93.57 126.64 38.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.605 -0.725 . . . . 0.3 111.095 -172.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -100.97 103.48 14.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.277 -0.638 . . . . 0.46 109.277 174.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.43 ' HD1' HG11 ' A' ' 31' ' ' VAL . 89.0 m-85 -84.94 108.95 17.82 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.744 -0.835 . . . . 0.34 108.744 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.407 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 26.8 m -122.83 139.02 54.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.259 -0.428 . . . . 0.39 110.921 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -139.5 167.73 21.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.211 -0.663 . . . . 0.39 109.211 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.473 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -66.18 -42.37 88.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.944 -0.761 . . . . 1.94 108.944 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.457 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 10.9 t -81.01 112.45 32.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.225 -0.898 . . . . 1.03 110.278 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.522 ' O ' ' HD3' ' A' ' 114' ' ' ARG . 9.9 Cg_endo -55.28 -41.15 81.2 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.496 2.131 . . . . 1.09 111.726 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.1 72.47 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.836 -0.697 . . . . 0.63 112.471 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.2 tp10 -66.84 -53.1 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.392 . . . . 1.14 110.725 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.589 ' NH1' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -74.31 -28.85 61.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.83 111.203 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.589 ' HG2' ' NH1' ' A' ' 114' ' ' ARG . 51.8 mm-40 -54.04 -48.47 70.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.563 0.22 . . . . 1.59 110.911 172.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 42.0 m -57.87 -32.62 67.85 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.825 -0.625 . . . . 1.15 110.945 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.63 -52.72 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.867 0.365 . . . . 0.26 110.604 -177.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.454 HE21 ' HG ' ' A' ' 92' ' ' LEU . 6.6 tp-100 -51.82 -49.03 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.35 -0.841 . . . . 0.74 112.12 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.8 pt-20 -74.58 -39.44 62.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.777 0.322 . . . . 0.47 111.814 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 116' ' ' SER . 7.4 mm100 -73.42 -37.91 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.645 0.609 . . . . 0.32 112.645 -172.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.85 -38.76 81.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.663 0.268 . . . . 0.22 110.393 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -63.81 -42.56 97.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.383 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 m -63.05 -35.64 80.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 1.03 110.74 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.499 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -70.99 -43.95 66.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.18 110.114 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.456 ' SD ' HG21 ' A' ' 82' ' ' VAL . 48.2 mtp -57.6 -51.23 70.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.26 111.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 130' ' ' MET . 35.3 mmtp -70.85 -19.79 62.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.938 -0.573 . . . . 1.34 110.751 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 130' ' ' MET . 52.3 t80 -71.93 -55.85 6.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.301 177.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -85.89 -26.99 25.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.816 -0.354 . . . . 1.63 111.366 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.8 t -100.85 17.74 21.33 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.951 0.405 . . . . 1.11 110.601 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' A' ' 126' ' ' LYS . 19.9 ptp -63.91 136.3 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.508 -0.553 . . . . 3.86 109.508 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.496 -0.764 . . . . 4.4 109.665 -177.38 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 35.6 t . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.666 -0.494 . . . . 1.81 109.666 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.31 84.07 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.839 -0.619 . . . . 0.97 111.307 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -69.46 -50.01 49.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 1.64 110.23 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 27.9 t70 -63.79 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.951 -0.568 . . . . 2.69 111.202 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.0 tp -63.42 -36.8 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.59 110.447 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.6 ttm180 -66.99 -50.21 62.98 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.745 -0.207 . . . . 1.88 110.646 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.489 ' O ' ' HG2' ' A' ' 21' ' ' MET . 64.1 mtt -57.08 -38.94 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.732 0.301 . . . . 1.78 110.973 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 18.9 ptpt -74.58 -38.52 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.458 -0.497 . . . . 1.61 110.544 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.682 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.5 tmtp? -69.4 -40.52 77.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.99 110.629 -175.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 16' ' ' ARG . 24.7 m -65.44 -31.46 53.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.21 110.458 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' MET . 24.2 mmt -65.57 -34.67 78.78 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.707 0.289 . . . . 2.72 110.292 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.674 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 41.6 mt-30 -64.98 -46.87 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.163 -0.68 . . . . 1.05 109.163 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 45.8 m-85 -64.12 -38.92 92.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.484 -0.78 . . . . 0.38 110.501 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 34.1 ttt180 -57.71 -40.85 80.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.149 -176.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.8 -34.09 76.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.017 0.437 . . . . 2.87 111.013 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -80.28 -13.17 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.329 0.585 . . . . 0.28 110.559 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.52 -13.55 19.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.502 -0.772 . . . . 0.21 110.902 175.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 60.7 m -91.19 104.63 17.16 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.2 111.403 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.55 173.37 16.4 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.841 -1.072 . . . . 0.79 111.545 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 m -98.95 124.2 52.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.419 -0.956 . . . . 1.03 108.419 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG11 ' HD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -146.42 148.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.62 -0.718 . . . . 0.26 109.753 -173.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.6 tmtt? -102.45 118.16 36.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.119 0.485 . . . . 0.67 110.481 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.713 ' O ' ' HA ' ' A' ' 39' ' ' SER . 26.8 mt -85.9 143.87 27.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.21 110.687 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 30.0 mtmt -144.47 106.65 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.896 -0.593 . . . . 0.84 110.083 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.4 t -169.29 -165.81 0.56 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 120.956 -0.298 . . . . 0.34 110.515 177.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -63.08 -18.92 63.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.542 0.687 . . . . 3.02 110.084 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.65 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 37.4 tp -64.29 -64.86 0.77 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.658 -1.156 . . . . 1.0 109.472 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 10.2 p90 -179.83 -173.23 0.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.381 -0.827 . . . . 0.82 109.032 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.713 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 9.4 p -136.81 99.42 4.03 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.81 -0.441 . . . . 0.34 109.81 172.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 72.4 mm-40 -152.03 157.05 41.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 2.08 109.672 -175.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m -81.84 115.69 21.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.189 0.519 . . . . 0.32 110.168 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.14 161.4 15.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.741 -0.663 . . . . 0.23 109.866 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -102.45 122.97 45.36 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.164 -0.68 . . . . 1.61 109.164 172.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.757 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.49 159.1 3.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.371 -0.377 . . . . 0.35 110.546 -174.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 54' ' ' GLN . 13.2 t -176.53 -169.72 0.3 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.248 -1.019 . . . . 0.21 108.248 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 31.8 p -140.94 174.4 10.55 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.805 -0.358 . . . . 0.19 110.407 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 t -62.16 163.42 8.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.201 0.524 . . . . 1.15 110.706 176.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -73.6 -15.89 61.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.559 -0.746 . . . . 2.1 110.292 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -104.13 0.47 29.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.71 109.708 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' O ' HD11 ' A' ' 124' ' ' LEU . . . 71.63 6.73 63.38 Favored Glycine 0 C--O 1.222 -0.648 0 CA-C-N 115.645 -0.707 . . . . 0.43 112.845 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' SD ' ' A' ' 128' ' ' MET . 46.6 mt-10 -82.56 -7.58 59.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.328 0.492 . . . . 1.99 112.328 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 47' ' ' SER . 24.4 mt-10 -142.95 147.84 35.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.692 -0.231 . . . . 1.49 110.937 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.4 t -100.55 138.54 24.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.877 -1.157 . . . . 0.34 107.877 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . 2.7 pt20 -148.28 150.08 33.02 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.953 -0.299 . . . . 2.12 110.269 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -141.85 162.02 36.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.403 0.621 . . . . 0.29 111.551 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 38.2 m-85 -118.89 126.3 51.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.863 -1.062 . . . . 0.53 108.914 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -89.75 106.08 18.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.189 0.518 . . . . 1.2 111.683 -171.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.59 -90.35 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.145 -0.934 . . . . 1.35 113.204 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -64.7 162.62 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.229 0.538 . . . . 4.98 111.636 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -79.82 62.47 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.541 -0.754 . . . . 3.89 111.422 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.2 m -67.45 118.71 11.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 2.95 110.034 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -147.93 153.62 39.3 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.695 0.283 . . . . 1.69 110.524 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.472 ' H ' ' HA ' ' A' ' 67' ' ' ARG . . . -75.89 -129.82 0.3 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.063 -0.589 . . . . 1.99 111.769 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.9 68.44 3.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.444 0.164 . . . . 1.76 110.699 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 71.9 -43.63 0.57 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.582 0.753 . . . . 3.33 112.315 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.86 5.1 8.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.031 0.443 . . . . 2.86 111.748 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.579 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 49.0 mtt180 63.18 55.39 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.293 -0.867 . . . . 3.34 112.652 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.85 53.39 0.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.199 0.523 . . . . 2.24 110.19 174.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -152.72 74.97 7.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.652 -0.704 . . . . 2.92 109.239 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 12.0 Cg_exo -71.4 156.51 58.39 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.057 2.505 . . . . 0.59 113.127 -176.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -91.44 -10.11 42.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.323 -0.853 . . . . 1.02 110.302 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 178.8 47.6 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.066 -0.814 . . . . 0.26 111.066 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.24 -176.26 27.15 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.384 -0.912 . . . . 0.4 112.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 79' ' ' ILE . 1.7 p90 -167.07 157.25 10.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 122.352 0.261 . . . . 0.21 110.35 -175.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.9 137.2 40.76 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.25 112.681 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 125' ' ' MET . 55.7 t -66.76 -35.26 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.245 -0.889 . . . . 0.3 111.549 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.8 -17.95 64.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.188 0.518 . . . . 1.29 110.746 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -95.37 -5.75 42.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 1.54 111.951 -176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.619 HG12 ' CE2' ' A' ' 74' ' ' PHE . 12.0 mt -64.09 116.54 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.437 -0.579 . . . . 0.26 109.437 175.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 9.2 t -82.75 -33.51 27.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.648 -0.421 . . . . 0.28 110.905 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 m -159.89 131.53 6.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.86 0.362 . . . . 0.88 111.573 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' SD ' ' A' ' 125' ' ' MET . 74.1 t -110.28 107.82 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.449 -0.945 . . . . 1.36 108.449 171.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.601 ' HB2' HG13 ' A' ' 93' ' ' VAL . 8.5 mtpp -126.95 166.75 16.94 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.35 -0.841 . . . . 1.7 111.298 -171.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 p -119.12 154.57 33.03 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.639 -0.874 . . . . 0.72 108.639 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.606 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -58.86 177.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.334 0.494 . . . . 0.47 112.334 -175.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.65 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.59 0.233 . . . . 0.72 111.176 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.67 -22.96 10.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.566 -0.531 . . . . 1.59 109.566 174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.606 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.5 p30 37.5 55.37 1.44 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.591 -1.186 . . . . 1.14 113.644 171.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.1 m -56.73 -67.07 0.34 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.454 -0.498 . . . . 0.68 109.901 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' THR . 18.7 ptmt -114.44 4.48 15.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.244 -0.434 . . . . 1.47 112.112 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG12 ' NE2' ' A' ' 85' ' ' GLN . 3.0 t -103.6 134.6 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.67 0.618 . . . . 0.39 112.67 -170.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.9 mp -114.95 152.22 32.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.274 0.63 . . . . 0.22 109.833 174.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' A' ' 83' ' ' LYS . 1.4 p -134.05 109.43 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.577 0.703 . . . . 0.24 111.018 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.458 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.0 mp -120.93 125.09 73.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.18 110.404 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 m -114.8 142.5 46.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 0.2 110.536 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.559 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.2 p -120.13 142.7 34.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.14 110.972 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.515 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 27.0 t-20 -117.96 140.44 49.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.328 -0.396 . . . . 1.87 110.428 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 9.2 t30 100.71 -58.34 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.58 1.552 . . . . 0.75 111.432 -177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 51.8 Cg_exo -58.69 170.85 2.3 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.482 1.455 . . . . 0.4 111.142 162.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -60.71 115.78 15.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.38 -0.6 . . . . 1.87 109.38 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.72 112.78 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.411 2.741 . . . . 0.57 113.108 -172.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -143.79 140.06 29.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.295 -0.866 . . . . 0.33 109.121 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 93' ' ' VAL . 97.7 m -116.43 108.64 16.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.307 0.575 . . . . 0.28 109.878 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -89.47 123.18 33.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.596 -0.729 . . . . 0.3 110.971 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.573 HD22 ' N ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -100.07 103.67 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.554 -0.535 . . . . 0.46 109.554 177.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.414 ' HD1' HG11 ' A' ' 31' ' ' VAL . 92.9 m-85 -85.0 109.82 18.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.118 -0.697 . . . . 0.34 109.118 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.5 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 28.4 m -122.18 138.01 54.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.863 -0.608 . . . . 0.39 110.728 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -141.25 165.22 28.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.868 -0.419 . . . . 0.39 109.868 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.91 -25.78 67.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.099 0.476 . . . . 1.94 110.201 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.44 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 23.2 t -98.72 109.81 54.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.669 . . . . 1.03 110.153 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' SER . 6.7 Cg_endo -50.87 -39.61 58.36 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.805 2.337 . . . . 1.09 111.886 172.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.95 81.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.542 -0.837 . . . . 0.63 112.41 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 9.0 tp10 -63.09 -52.61 61.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 1.14 111.46 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.585 ' NH1' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -72.31 -36.02 68.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.58 -0.448 . . . . 2.83 110.867 -176.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.585 ' HG3' ' NH1' ' A' ' 114' ' ' ARG . 23.7 mt-10 -58.02 -41.46 83.19 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.846 -0.342 . . . . 1.59 110.734 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 m -59.01 -33.79 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 120.852 0.358 . . . . 1.15 110.386 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.545 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -72.1 -49.31 37.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 0.26 109.853 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.453 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.9 tp-100 -51.26 -50.25 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.759 -1.109 . . . . 0.74 112.14 -177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.62 -41.61 60.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.806 0.336 . . . . 0.47 111.731 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 6.4 mm100 -68.61 -38.49 80.64 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.309 0.485 . . . . 0.32 112.309 -173.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' MET . 9.5 tp -62.74 -37.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.035 -0.266 . . . . 0.22 110.438 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.448 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 48.8 mt-30 -68.24 -38.84 82.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.43 . . . . 1.0 110.428 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.8 t -62.23 -37.98 87.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.65 -0.704 . . . . 1.03 110.069 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.5 tm? -68.38 -47.97 65.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.296 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.469 ' HG2' HD12 ' A' ' 79' ' ' ILE . 46.1 mtp -53.35 -52.51 58.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.491 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.585 ' HA ' ' HB3' ' A' ' 129' ' ' SER . 74.3 mmtt -73.75 -26.76 60.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.122 -0.49 . . . . 1.34 111.268 -175.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.61 -42.42 92.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.832 0.348 . . . . 0.47 110.234 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 51' ' ' GLU . 9.8 ptm -92.18 -20.75 20.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.445 -0.343 . . . . 1.63 111.039 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.585 ' HB3' ' HA ' ' A' ' 126' ' ' LYS . 11.4 t -73.7 -43.19 59.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.28 0.562 . . . . 1.11 110.966 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.28 117.08 18.44 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.325 -0.852 . . . . 3.86 109.828 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.276 -0.869 . . . . 4.4 109.979 -178.427 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.523 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 12.6 t . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.802 -0.444 . . . . 1.81 109.802 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.33 94.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.536 -0.757 . . . . 0.97 111.546 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.3 m -69.17 -46.53 67.3 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.108 -0.496 . . . . 1.64 110.981 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 4.3 m-20 -66.43 -46.5 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.393 . . . . 2.69 111.674 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.6 tp -62.91 -36.09 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.59 110.205 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.5 ttm180 -64.04 -48.35 76.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.407 -0.36 . . . . 1.88 110.288 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 13' ' ' SER . 92.8 mtp -56.02 -39.11 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.608 0.242 . . . . 1.78 111.319 -178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 12.4 ptpt -75.77 -34.02 60.23 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.416 -0.513 . . . . 1.61 110.673 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tmtp? -75.44 -39.56 58.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.725 0.297 . . . . 0.99 111.323 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG21 ' C ' ' A' ' 49' ' ' ASP . 33.1 m -65.34 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.943 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 20.9 ptt? -71.22 -28.58 64.3 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 2.72 109.991 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.688 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 36.0 mt-30 -66.28 -49.89 65.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.013 -0.736 . . . . 1.05 109.013 172.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 47.4 m-85 -61.76 -31.22 71.39 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.417 -0.81 . . . . 0.38 110.312 175.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -61.02 -38.61 86.72 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.856 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HD3' ' O ' ' A' ' 21' ' ' MET . 2.3 mpp_? -64.67 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.097 0.475 . . . . 2.87 110.394 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -84.24 -15.58 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.28 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.3 mp -100.02 -13.87 18.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.822 -0.626 . . . . 0.21 110.633 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 91.9 m -83.03 104.8 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.568 -0.53 . . . . 0.2 109.568 175.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -147.64 164.81 32.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.697 -0.683 . . . . 0.79 110.182 -174.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -103.17 127.27 57.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.725 -0.843 . . . . 1.03 108.725 170.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.63 160.23 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 0.26 110.27 -172.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.5 tmtp? -113.31 124.7 53.11 Favored 'General case' 0 C--N 1.313 -1.007 0 O-C-N 121.921 -0.487 . . . . 0.67 110.194 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 39' ' ' SER . 23.9 mt -90.34 142.61 27.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.21 111.255 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 32.8 mtmt -144.41 106.4 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 0.84 109.92 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 37' ' ' LEU . 4.5 t -169.45 -166.59 0.61 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 121.073 -0.251 . . . . 0.34 110.554 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.89 -14.45 62.78 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.541 0.686 . . . . 3.02 110.144 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.538 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 24.8 tp -65.57 -64.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.036 -0.983 . . . . 1.0 109.192 172.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 178.62 -175.99 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.23 -0.895 . . . . 0.82 109.176 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 13.2 p -130.55 101.23 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 0.34 109.599 171.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -153.24 159.31 42.58 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.274 -0.421 . . . . 2.08 109.965 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 26.3 m -83.35 124.49 30.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.496 -0.557 . . . . 0.32 109.496 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.84 153.9 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.908 -0.587 . . . . 0.23 109.828 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 29.8 ttmt -100.11 119.63 38.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.029 -0.73 . . . . 1.61 109.029 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -101.15 156.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.133 0.492 . . . . 0.35 110.726 -174.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -174.17 -172.22 0.68 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.988 -1.005 . . . . 0.21 108.438 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' HB3' HD23 ' A' ' 27' ' ' LEU . 30.7 p -129.15 169.66 14.5 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.698 -0.401 . . . . 0.19 110.431 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.518 ' HB2' ' HB3' ' A' ' 52' ' ' GLU . 27.6 t -63.36 165.9 7.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 1.15 110.53 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.963 0.411 . . . . 2.1 110.25 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG21 ' A' ' 20' ' ' VAL . 3.2 m-20 -94.73 -0.99 53.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.71 110.136 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.28 4.47 73.81 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.963 -0.562 . . . . 0.43 112.624 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -73.38 1.07 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.025 0.38 . . . . 1.99 112.025 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 47' ' ' SER . 20.7 tt0 -153.62 150.87 29.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.936 -0.306 . . . . 1.49 111.657 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 76' ' ' VAL . 59.2 t -107.98 115.69 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.961 -1.126 . . . . 0.34 107.961 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.03 161.51 27.39 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.507 0.194 . . . . 2.12 110.653 -171.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 6.0 p90 -147.65 156.72 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 0.29 112.516 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 67' ' ' ARG . 63.2 m-85 -115.1 112.02 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.911 -1.04 . . . . 0.53 109.189 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -86.87 149.83 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 1.2 111.986 -170.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.63 -84.65 1.15 Allowed Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.641 -0.709 . . . . 1.35 112.172 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -142.72 -54.51 0.41 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.988 -0.375 . . . . 4.98 109.988 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.9 t -164.52 103.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.062 0.458 . . . . 3.89 110.663 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.1 p -110.72 31.62 5.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.941 -0.572 . . . . 2.95 109.549 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 67' ' ' ARG . . . -66.0 107.38 1.86 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.361 -0.836 . . . . 1.69 112.105 -173.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.456 ' HA3' ' CB ' ' A' ' 69' ' ' LYS . . . -50.12 132.36 28.88 Favored Glycine 0 CA--C 1.509 -0.342 0 CA-C-N 115.351 -0.841 . . . . 1.99 113.962 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 46.66 31.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.482 0.713 . . . . 1.76 112.874 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 72.11 -40.98 0.49 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.402 0.681 . . . . 3.33 112.278 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.51 12.9 1.78 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.986 0.422 . . . . 2.86 110.899 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.7 mtm180 61.52 55.74 2.73 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.3 -0.864 . . . . 3.34 110.098 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -92.65 -22.84 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.842 . . . . 2.24 109.958 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -122.6 104.62 36.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.25 -0.887 . . . . 2.92 109.856 -175.091 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 7.6 Cg_exo -74.29 166.47 29.44 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.919 2.413 . . . . 0.59 111.826 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -100.15 4.54 44.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 1.02 109.384 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.83 176.89 39.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.665 -0.974 . . . . 0.26 110.665 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 151.63 157.65 8.0 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.124 -1.036 . . . . 0.4 113.049 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -138.44 150.98 68.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.802 -0.444 . . . . 0.21 109.802 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.631 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 24.1 Cg_exo -64.22 143.52 83.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.25 112.715 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 56.0 t -71.14 -38.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.981 -1.009 . . . . 0.3 111.925 -175.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.13 -14.92 61.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 1.29 110.399 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.631 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 1.5 mptm? -92.24 -5.89 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 1.54 111.363 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.651 HG12 ' CE2' ' A' ' 74' ' ' PHE . 20.9 mt -65.16 124.77 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.34 -0.615 . . . . 0.26 109.34 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.521 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 14.6 t -87.13 -30.52 21.01 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.617 -0.433 . . . . 0.28 111.016 -175.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.1 m -158.18 136.21 10.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.88 111.355 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG21 HG23 ' A' ' 121' ' ' ILE . 3.8 p -117.45 106.78 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.475 -0.935 . . . . 1.36 108.475 173.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.712 ' HG3' HG13 ' A' ' 93' ' ' VAL . 14.9 pttt -135.27 168.06 19.88 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.142 -0.935 . . . . 1.7 111.312 -172.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -128.61 153.58 47.1 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.314 -0.857 . . . . 0.72 108.942 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.4 OUTLIER -60.86 167.26 2.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 0.47 111.183 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.72 111.886 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.52 -22.26 10.89 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.586 -0.524 . . . . 1.59 109.586 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.6 p30 37.97 53.52 1.59 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.102 -0.954 . . . . 1.14 112.987 175.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.523 HG22 ' HG3' ' A' ' 90' ' ' LYS . 48.0 m -47.77 -71.05 0.08 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.598 -0.274 . . . . 0.68 110.814 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.523 ' HG3' HG22 ' A' ' 89' ' ' THR . 91.7 mttt -116.22 8.54 14.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.54 0.209 . . . . 1.47 111.363 170.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 3.0 t -101.49 119.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.781 0.66 . . . . 0.39 112.781 -171.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 3.5 mp -105.69 152.22 23.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 0.22 109.792 171.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 83' ' ' LYS . 2.3 p -137.6 113.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.447 0.642 . . . . 0.24 111.128 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.484 HD12 ' C ' ' A' ' 93' ' ' VAL . 2.3 mp -128.0 130.2 69.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.292 -0.413 . . . . 0.18 110.084 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -119.61 142.01 48.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.898 0.38 . . . . 0.2 110.734 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 1.5 p -118.84 140.74 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.14 110.876 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 18.2 t-20 -134.84 96.67 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.938 0.399 . . . . 1.87 111.517 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.1 t30 164.87 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.195 1.398 . . . . 0.75 107.846 172.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.1 Cg_exo -64.27 172.05 6.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.726 1.617 . . . . 0.4 109.28 154.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.73 113.36 7.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.852 -0.425 . . . . 1.87 109.852 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -43.88 115.3 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.915 3.076 . . . . 0.57 113.727 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 m -138.08 145.64 41.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.159 -0.928 . . . . 0.33 109.357 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 85.6 m -117.49 110.76 18.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.063 0.459 . . . . 0.28 110.055 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -91.99 125.77 36.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.056 -0.52 . . . . 0.3 110.69 -174.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.612 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.03 106.39 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.652 -0.499 . . . . 0.46 109.652 176.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -84.87 111.36 19.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.529 -0.545 . . . . 0.34 109.529 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.568 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 17.8 m -120.28 138.54 53.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.39 110.238 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -140.46 178.42 7.33 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.768 -0.373 . . . . 0.39 110.062 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 90' ' ' LYS . 1.5 tmtp? -73.01 -38.9 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.21 -0.663 . . . . 1.94 109.21 174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -84.32 124.3 73.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.301 -0.863 . . . . 1.03 111.036 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.673 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 16.0 Cg_exo -67.83 -24.35 40.46 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.409 2.073 . . . . 1.09 110.986 172.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.47 -38.81 10.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.89 -0.671 . . . . 0.63 112.786 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -56.25 -46.6 79.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.373 0.606 . . . . 1.14 111.108 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.2 OUTLIER -70.0 -40.12 75.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.463 -0.79 . . . . 2.83 110.733 -174.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 23.1 mt-10 -66.95 -35.0 78.99 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.633 0.254 . . . . 1.59 110.715 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -56.62 -38.24 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.402 -0.592 . . . . 1.15 109.402 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -46.65 54.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.26 110.113 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -55.42 -49.83 71.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.454 -0.794 . . . . 0.74 111.989 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 12.1 pt-20 -70.88 -32.88 70.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 0.47 111.263 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.52 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.6 mm100 -76.29 -42.34 45.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.56 . . . . 0.32 112.332 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.418 HG23 HG21 ' A' ' 82' ' ' VAL . 9.9 tp -62.67 -35.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.464 -0.334 . . . . 0.22 110.131 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 43.7 mt-30 -56.75 -45.4 82.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.241 0.543 . . . . 1.0 110.071 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 m -67.41 -42.19 83.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.443 -0.799 . . . . 1.03 111.185 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.433 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -65.54 -47.06 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.073 -0.343 . . . . 0.18 110.073 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.566 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 40.2 mtp -54.88 -52.32 63.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.26 111.288 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 130' ' ' MET . 73.5 mmtt -71.27 -32.66 68.95 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.32 -0.4 . . . . 1.34 110.801 -176.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.425 ' HE1' ' HA ' ' A' ' 16' ' ' ARG . 86.9 t80 -53.65 -42.82 68.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.891 0.377 . . . . 0.47 111.138 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 14.0 ptm -97.83 -23.94 15.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.449 -0.341 . . . . 1.63 111.758 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.2 t -95.58 -2.32 48.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.056 0.391 . . . . 1.11 112.056 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 28.0 mtt -70.38 -170.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.002 0.43 . . . . 3.86 111.146 176.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.289 -0.863 . . . . 4.4 111.223 177.019 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.15 -0.315 . . . . 1.81 110.15 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.27 61.19 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.725 1.009 . . . . 0.97 113.725 -167.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -79.15 -40.14 31.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 1.64 110.777 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.35 -48.04 79.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 2.69 111.034 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.528 HD12 ' HE2' ' A' ' 18' ' ' LYS . 4.0 tp -60.48 -37.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.897 0.379 . . . . 0.59 110.028 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttm180 -62.16 -46.74 87.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.999 -0.546 . . . . 1.88 110.76 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.9 mtt -56.83 -40.33 75.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.573 -0.285 . . . . 1.78 111.061 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HE2' HD12 ' A' ' 15' ' ' ILE . 25.5 pttt -76.06 -37.34 58.37 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.446 -0.501 . . . . 1.61 110.395 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.1 tmtp? -71.74 -37.07 70.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.99 110.678 -173.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.1 m -65.93 -31.3 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.253 -0.43 . . . . 0.21 110.21 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.3 mmm -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 2.72 110.489 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.597 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 44.2 mt-30 -66.94 -47.06 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.119 -0.697 . . . . 1.05 109.119 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CD1' HD23 ' A' ' 124' ' ' LEU . 48.9 m-85 -63.63 -33.83 76.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.506 -0.77 . . . . 0.38 110.584 174.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 43.7 ttt180 -61.05 -41.2 96.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.886 -176.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.981 0.42 . . . . 2.87 110.287 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.26 -24.04 47.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.845 -0.616 . . . . 0.28 110.906 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 46' ' ' CYS . 1.5 mp -91.69 -18.69 23.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.51 177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 86.6 m -75.81 106.12 7.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.226 -0.657 . . . . 0.2 109.226 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 169.78 21.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.107 -0.497 . . . . 0.79 110.149 -175.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.02 125.65 63.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.859 -0.793 . . . . 1.03 108.859 172.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.26 149.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.818 0.342 . . . . 0.26 110.672 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 11.0 tmtt? -99.33 118.0 35.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.67 110.253 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 39' ' ' SER . 22.2 mt -85.96 144.21 27.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.21 110.909 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 29.4 mtmt -143.03 106.28 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.68 -0.691 . . . . 0.84 109.527 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 37' ' ' LEU . 3.7 t -169.04 -169.43 0.97 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.162 -0.31 . . . . 0.34 110.162 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.04 -15.51 59.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.317 0.58 . . . . 3.02 110.395 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' A' ' 35' ' ' THR . 50.6 tp -64.84 -57.58 8.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.27 -0.877 . . . . 1.0 108.91 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 170.54 -169.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 124.154 0.909 . . . . 0.82 108.842 177.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 11.2 p -137.39 100.75 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.026 -0.361 . . . . 0.34 110.026 173.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.613 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.8 mm-40 -158.69 163.81 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.051 -0.522 . . . . 2.08 110.338 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 55.2 m -83.22 122.2 28.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.139 0.495 . . . . 0.32 110.614 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 57' ' ' LYS . 3.8 m -122.55 164.95 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.718 -0.674 . . . . 0.23 109.73 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -109.3 121.78 45.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.906 -0.776 . . . . 1.61 108.906 171.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.72 160.94 3.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 110.174 -0.306 . . . . 0.35 110.174 -175.073 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 54' ' ' GLN . 15.3 t -179.53 -173.04 0.24 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.859 -0.793 . . . . 0.21 108.859 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.514 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 16.9 p -134.15 164.27 27.73 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.567 -0.531 . . . . 0.19 109.567 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -72.92 172.31 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.273 -0.269 . . . . 1.15 110.273 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.66 -45.55 91.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.512 0.56 . . . . 2.1 112.512 -170.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.82 3.09 46.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.643 0.258 . . . . 0.71 110.967 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.13 -3.02 59.31 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 121.068 -0.587 . . . . 0.43 113.047 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.93 -28.48 69.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 1.99 111.876 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.85 149.96 49.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.878 0.325 . . . . 1.49 111.878 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 55.4 t -106.1 129.93 58.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.084 -1.08 . . . . 0.34 108.084 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HG3' HG23 ' A' ' 45' ' ' THR . 3.3 pt20 -135.1 153.35 52.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.812 0.339 . . . . 2.12 110.572 -174.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -143.19 154.64 44.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.807 0.813 . . . . 0.29 111.603 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.74 102.69 10.96 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.786 -1.097 . . . . 0.53 109.258 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 48.0 mtmt -81.47 113.99 19.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.207 -0.451 . . . . 1.2 110.589 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.94 -131.99 25.96 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.688 -0.687 . . . . 1.35 112.283 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -95.69 55.23 1.63 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.399 0.619 . . . . 4.98 110.547 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -60.41 142.37 55.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.455 -0.793 . . . . 3.89 109.921 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.57 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 23.2 m -57.36 117.99 4.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.229 -0.441 . . . . 2.95 110.225 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.713 ' C ' ' HA ' ' A' ' 67' ' ' ARG . . . -81.45 49.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 1.69 112.133 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 16.23 -122.97 0.01 OUTLIER Glycine 0 N--CA 1.465 0.598 0 O-C-N 124.889 1.368 . . . . 1.99 115.872 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 63.32 7.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.448 -0.376 . . . . 1.76 111.346 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' C ' ' H ' ' A' ' 67' ' ' ARG . 64.2 mm-40 71.44 -51.53 0.69 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.794 0.838 . . . . 3.33 111.888 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.09 14.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.205 0.526 . . . . 2.86 110.775 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.713 ' HA ' ' C ' ' A' ' 62' ' ' ALA . 3.8 mtt180 57.46 77.81 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 114.798 -1.092 . . . . 3.34 110.549 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -93.46 16.0 14.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.885 . . . . 2.24 110.629 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 61' ' ' THR . 3.5 tppp? -131.23 85.46 53.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 121.198 0.523 . . . . 2.92 110.582 -176.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.67 162.48 41.16 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.953 2.435 . . . . 0.59 111.84 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 15.6 t -106.81 13.66 27.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.637 0.732 . . . . 1.02 109.299 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.0 156.47 11.6 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.087 -0.961 . . . . 0.26 111.089 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.25 159.84 23.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.616 -0.802 . . . . 0.4 112.356 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.699 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -156.5 156.77 30.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 4.4 Cg_exo -72.24 139.99 33.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.731 2.287 . . . . 0.25 112.735 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 125' ' ' MET . 2.4 t -63.15 -40.6 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.635 -1.166 . . . . 0.3 112.334 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.43 -11.04 60.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.861 0.362 . . . . 1.29 111.358 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -95.46 -7.6 37.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 1.54 111.194 -178.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' CE2' ' A' ' 74' ' ' PHE . 25.0 mt -64.07 112.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.593 -0.521 . . . . 0.26 109.593 174.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.518 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 13.4 t -78.64 -29.19 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.497 -0.319 . . . . 0.28 111.032 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.484 ' CB ' ' HE2' ' A' ' 83' ' ' LYS . 64.6 m -157.72 131.21 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.893 0.378 . . . . 0.88 111.477 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 82' ' ' VAL . 3.7 p -117.88 106.55 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.496 -0.927 . . . . 1.36 108.496 173.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.484 ' HE2' ' CB ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -139.1 166.05 25.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.506 0.67 . . . . 1.7 111.292 -170.264 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.2 p -109.82 154.81 22.48 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.655 -0.869 . . . . 0.72 108.655 170.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -56.97 179.58 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.139 0.422 . . . . 0.47 112.139 -178.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.87 75.31 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.804 -0.359 . . . . 0.72 110.295 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.77 -26.12 14.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.306 0.574 . . . . 1.59 110.122 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.621 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.9 p-10 30.15 42.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 113.511 -1.677 . . . . 1.14 114.532 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.5 m -53.35 -68.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.761 0.315 . . . . 0.68 110.295 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 5.8 ptpp? -113.39 13.48 18.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.368 -0.378 . . . . 1.47 110.863 171.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.435 HG12 ' NE2' ' A' ' 85' ' ' GLN . 2.3 t -111.44 128.09 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.857 0.688 . . . . 0.39 112.857 -169.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 8.4 mp -111.86 152.36 28.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.955 -0.566 . . . . 0.22 109.926 173.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.432 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.4 p -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.76 0.791 . . . . 0.24 111.407 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.508 HD11 HE22 ' A' ' 118' ' ' GLN . 2.0 mp -119.96 131.71 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.715 . . . . 0.18 109.781 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -123.26 144.34 49.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.616 0.246 . . . . 0.2 110.492 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' H ' ' A' ' 80' ' ' THR . 2.0 p -118.52 146.57 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.512 -0.313 . . . . 0.14 111.284 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.518 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 26.6 t-20 -123.79 138.24 54.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.327 -0.397 . . . . 1.87 110.282 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 8.2 t30 102.33 -59.8 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.594 1.558 . . . . 0.75 111.069 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 50.9 Cg_exo -58.5 172.37 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.494 1.463 . . . . 0.4 110.889 161.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.66 113.99 8.46 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.85 -0.426 . . . . 1.87 109.85 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.85 112.51 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.623 2.882 . . . . 0.57 113.105 -172.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -144.35 146.19 32.4 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.266 -0.879 . . . . 0.33 109.609 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' VAL . 93.9 m -120.44 108.52 14.21 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.558 -0.534 . . . . 0.28 109.558 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -90.03 122.38 32.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.959 -0.564 . . . . 0.3 110.861 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -102.03 105.36 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.46 109.445 177.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -84.61 110.86 19.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.549 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 19.0 m -120.98 136.24 55.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.686 -0.688 . . . . 0.39 110.377 -176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -141.35 172.14 13.09 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.73 -0.388 . . . . 0.39 110.217 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.58 -42.26 78.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.2 0.524 . . . . 1.94 109.645 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -72.25 124.1 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.555 -0.748 . . . . 1.03 111.425 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' C ' HH21 ' A' ' 114' ' ' ARG . 13.0 Cg_exo -70.8 2.34 4.21 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.589 2.193 . . . . 1.09 111.751 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.99 -45.04 0.9 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.735 -0.745 . . . . 0.63 112.509 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -50.44 -45.18 55.71 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.582 0.586 . . . . 1.14 112.582 -171.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -69.67 -47.44 63.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.871 -0.604 . . . . 2.83 110.925 -172.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.75 -32.12 70.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.436 -0.347 . . . . 1.59 111.336 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.459 . . . . 1.15 109.824 170.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -72.49 -45.04 61.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.26 109.459 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.655 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 6.0 tp-100 -51.93 -50.26 61.51 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.033 -0.985 . . . . 0.74 112.242 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.56 -29.52 64.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.118 0.485 . . . . 0.47 111.051 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.1 mm100 -75.69 -45.53 36.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.103 -0.499 . . . . 0.32 111.753 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' A' ' 125' ' ' MET . 6.8 tp -60.07 -44.31 94.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.501 -0.318 . . . . 0.22 110.76 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 118' ' ' GLN . 8.1 pt20 -69.38 -31.57 70.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.874 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.4 m -71.33 -34.96 71.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.298 -0.41 . . . . 1.03 110.221 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.8 tm? -66.51 -45.35 79.83 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.292 -0.633 . . . . 0.18 109.292 174.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.525 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 50.5 mtp -54.17 -53.81 48.31 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.26 110.729 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 129' ' ' SER . 74.2 mmtt -71.27 -28.28 64.03 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.553 -0.294 . . . . 1.34 111.13 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -55.08 -40.61 70.58 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.894 0.378 . . . . 0.47 110.823 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ptp -103.54 -20.41 14.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.63 111.475 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 126' ' ' LYS . 35.9 m -81.77 -21.51 37.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.068 0.395 . . . . 1.11 112.068 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.45 97.96 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.49 -0.559 . . . . 3.86 109.49 174.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.426 -0.797 . . . . 4.4 110.473 -175.158 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 109.934 -0.395 . . . . 1.81 109.934 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.52 -57.71 9.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.036 0.754 . . . . 0.97 113.036 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.8 m -68.37 -39.53 81.75 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.714 0.293 . . . . 1.64 111.475 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -63.07 -49.34 74.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 2.69 111.148 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 7.5 tp -66.12 -36.71 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 109.87 -0.418 . . . . 0.59 109.87 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 20' ' ' VAL . 16.5 ttm180 -60.65 -47.01 88.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.075 -0.511 . . . . 1.88 111.187 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.9 -38.62 82.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.707 0.289 . . . . 1.78 111.318 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 17.4 ptpt -75.59 -34.68 60.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.524 -0.471 . . . . 1.61 110.036 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 4.4 tmtp? -73.35 -39.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 0.99 111.104 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' ARG . 32.9 m -63.73 -31.17 52.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.605 -0.27 . . . . 0.21 110.316 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.021 0.438 . . . . 2.72 110.436 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 19' ' ' LYS . 35.7 mt-30 -66.07 -40.29 90.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.795 -0.639 . . . . 1.05 109.591 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -70.6 -36.1 73.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.559 -0.746 . . . . 0.38 110.298 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 27.3 ttt180 -58.94 -42.11 89.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.57 110.891 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -65.44 -33.51 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.847 0.356 . . . . 2.87 110.786 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -17.3 50.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.288 0.566 . . . . 0.28 110.931 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.11 -14.24 21.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.899 -0.592 . . . . 0.21 110.725 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 88.4 m -84.77 105.79 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.144 0.497 . . . . 0.2 110.18 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HD2' ' O ' ' A' ' 28' ' ' THR . 3.0 mptm? -150.6 171.14 17.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.384 -0.825 . . . . 0.79 109.417 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 108' ' ' PHE . 1.1 t -108.86 129.71 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 107.696 -1.224 . . . . 1.03 107.696 166.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.15 148.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.976 -0.556 . . . . 0.26 109.643 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 8.1 tmtt? -100.23 118.74 37.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.079 0.466 . . . . 0.67 110.619 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 39' ' ' SER . 21.0 mt -85.64 145.56 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.68 -0.691 . . . . 0.21 110.618 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 36.9 mtmt -145.96 106.6 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.84 109.889 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.1 t -169.14 -168.29 0.82 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.267 -0.272 . . . . 0.34 110.267 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -60.27 -21.0 61.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.321 0.581 . . . . 3.02 110.254 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 38' ' ' PHE . 30.4 tp -64.35 -62.6 1.5 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 1.0 109.69 176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 12.4 p90 177.88 -175.42 0.17 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.755 -0.657 . . . . 0.82 109.408 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 44.1 p -133.42 99.15 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.766 -0.457 . . . . 0.34 109.766 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' C ' ' HG2' ' A' ' 32' ' ' LYS . 76.7 mm-40 -153.32 157.98 40.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.815 -0.439 . . . . 2.08 109.815 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 84.8 m -80.53 119.65 23.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 0.32 109.711 174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.43 152.51 20.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.465 -0.789 . . . . 0.23 109.213 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 40.3 ttpt -97.22 119.86 36.5 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.779 -0.822 . . . . 1.61 108.779 173.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.2 152.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.784 -0.45 . . . . 0.35 109.784 -173.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 t -171.38 -171.02 0.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.552 -0.907 . . . . 0.21 108.552 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 26.7 p -144.17 164.79 29.68 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.771 -0.372 . . . . 0.19 111.092 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.6 t -60.75 160.08 9.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.82 -0.627 . . . . 1.15 110.869 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.81 -13.3 62.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 2.1 112.105 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -110.43 8.2 23.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.04 0.448 . . . . 0.71 110.072 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.36 23.38 64.44 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.339 -0.846 . . . . 0.43 112.682 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.55 -12.17 54.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 1.99 111.436 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -149.79 148.01 28.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.798 -0.361 . . . . 1.49 111.06 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 48.4 t -109.13 126.41 66.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.763 -0.829 . . . . 0.34 108.763 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . 5.0 mm-40 -120.4 159.79 24.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.549 0.214 . . . . 2.12 110.538 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.542 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.2 151.41 36.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.525 0.679 . . . . 0.29 111.377 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.76 ' CE1' ' HA ' ' A' ' 70' ' ' PRO . 54.3 m-85 -117.36 112.85 21.27 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.101 -0.954 . . . . 0.53 109.335 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' HB3' ' A' ' 71' ' ' SER . 44.9 mtmt -78.84 126.2 30.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.252 -0.431 . . . . 1.2 111.391 -173.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.57 -80.0 1.34 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.148 -0.549 . . . . 1.35 112.572 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -85.48 141.73 29.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.059 -0.348 . . . . 4.98 110.059 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -79.71 53.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 3.89 111.01 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.6 m -58.22 157.29 8.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.452 -0.795 . . . . 2.95 111.447 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -158.87 98.78 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 1.69 110.233 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' HA3' ' N ' ' A' ' 69' ' ' LYS . . . -48.34 120.61 6.63 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.304 -0.862 . . . . 1.99 114.33 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . 47.56 36.5 5.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.502 0.721 . . . . 1.76 112.556 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 71.2 -30.55 0.21 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.255 0.622 . . . . 3.33 112.272 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 64' ' ' ALA . 35.9 m-20 -78.56 0.5 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.15 0.5 . . . . 2.86 110.339 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 7.8 mtt180 60.53 43.5 12.86 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 114.843 -1.071 . . . . 3.34 109.453 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -87.0 -4.28 59.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.713 -1.13 . . . . 2.24 111.119 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' ' HA3' ' A' ' 63' ' ' GLY . 12.3 tppt? -125.23 80.08 65.31 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.039 -0.528 . . . . 2.92 110.143 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.76 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 8.3 Cg_exo -73.95 166.21 30.22 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.999 2.466 . . . . 0.59 112.68 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 57' ' ' LYS . 7.9 t -104.42 17.24 24.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.662 -0.866 . . . . 1.02 108.662 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.03 162.71 11.01 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.845 -1.07 . . . . 0.26 110.801 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.93 -172.93 42.19 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.371 -0.918 . . . . 0.4 112.594 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -166.08 150.94 7.53 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.627 0.251 . . . . 0.21 110.357 179.319 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' LYS . 17.3 Cg_exo -66.61 138.08 48.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.93 2.42 . . . . 0.25 112.464 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 53' ' ' VAL . 67.3 t -62.41 -39.26 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.974 -1.012 . . . . 0.3 111.513 -177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -70.28 -17.77 63.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.808 -0.633 . . . . 1.29 111.179 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HD3' ' HB2' ' A' ' 75' ' ' PRO . 12.0 mptt -95.54 -5.53 42.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.193 -0.458 . . . . 1.54 111.691 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.641 HG12 ' CE2' ' A' ' 74' ' ' PHE . 26.4 mt -65.8 129.53 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.97 -0.752 . . . . 0.26 108.97 173.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 97' ' ' ASN . 8.9 t -90.58 -40.43 11.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.105 -0.638 . . . . 0.28 111.249 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.9 m -158.94 138.15 11.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.774 0.321 . . . . 0.88 111.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.505 HG12 ' OE1' ' A' ' 118' ' ' GLN . 70.6 t -119.46 107.73 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.422 -0.584 . . . . 1.36 109.422 177.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 167.23 16.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.665 0.745 . . . . 1.7 111.51 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.6 p -111.4 155.55 22.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.72 108.738 171.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.505 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -61.71 -173.82 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.081 0.4 . . . . 0.47 112.081 -177.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.71 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.939 0.399 . . . . 0.72 110.519 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.8 -26.06 12.4 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.71 -0.478 . . . . 1.59 109.71 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.505 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 3.3 p-10 34.65 39.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.856 1.428 . . . . 1.14 114.856 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 53.4 m -57.24 -58.59 7.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.424 -0.51 . . . . 0.68 110.047 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 114' ' ' ARG . 4.4 ptpp? -115.91 12.51 15.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 1.47 112.203 169.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.6 128.96 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.552 0.575 . . . . 0.39 112.552 -169.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 105' ' ' ASN . 7.3 mp -117.39 152.08 35.71 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.029 -0.532 . . . . 0.22 109.979 174.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.473 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.0 p -136.54 109.64 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.648 0.737 . . . . 0.24 111.349 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 103' ' ' THR . 2.3 mp -122.91 132.51 71.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 0.18 110.451 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.6 m -121.4 145.02 48.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.2 110.739 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.415 ' HA ' ' H ' ' A' ' 80' ' ' THR . 1.9 p -119.54 140.85 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.14 110.466 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.473 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 20.0 t-20 -132.04 96.27 3.87 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.105 0.479 . . . . 1.87 111.783 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.658 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 7.7 t30 165.1 -55.23 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.605 0 CA-C-N 114.113 -1.403 . . . . 0.75 108.108 171.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 33.0 Cg_exo -60.64 172.72 2.57 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 121.82 1.68 . . . . 0.4 109.516 156.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.02 115.19 11.98 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.748 -0.464 . . . . 1.87 109.748 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.03 114.8 0.6 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.955 3.103 . . . . 0.57 113.378 -173.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.2 m -141.77 145.04 34.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.425 -0.807 . . . . 0.33 109.837 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 96.8 m -117.69 114.87 23.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.084 0.469 . . . . 0.28 110.066 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -95.5 129.12 42.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.838 -0.619 . . . . 0.3 110.736 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -103.85 105.47 15.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.46 109.329 175.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 94' ' ' ILE . 70.5 m-85 -83.91 110.49 18.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.943 -0.762 . . . . 0.34 108.943 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.579 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 29.8 m -120.88 134.04 55.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.7 -0.682 . . . . 0.39 110.412 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 30' ' ' VAL . 4.1 t80 -141.39 170.23 16.12 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.795 -0.446 . . . . 0.39 109.795 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.4 -48.92 68.55 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.491 1.138 . . . . 1.94 108.317 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 2.4 m -74.55 117.45 62.25 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 112.777 -2.01 . . . . 1.03 111.338 -172.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HA ' ' HE ' ' A' ' 114' ' ' ARG . 24.8 Cg_exo -61.86 -38.45 59.07 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.627 2.218 . . . . 1.09 111.925 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.6 -27.02 63.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.675 -0.774 . . . . 0.63 112.903 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 110' ' ' SER . 8.4 tp10 -63.41 -51.16 66.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 1.14 110.851 -174.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -71.2 -37.66 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.512 -0.767 . . . . 2.83 110.612 -175.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.508 ' HG3' ' NH2' ' A' ' 114' ' ' ARG . 38.9 mt-10 -64.7 -42.78 95.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.59 111.25 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -60.57 -33.73 73.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 1.15 110.055 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 -46.38 62.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.26 110.12 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.505 ' OE1' HG12 ' A' ' 82' ' ' VAL . 6.4 tp-100 -51.98 -48.78 64.22 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.214 -0.903 . . . . 0.74 112.265 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.62 -40.59 61.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.713 0.292 . . . . 0.47 111.441 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.24 -40.05 89.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.406 0.521 . . . . 0.32 112.406 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.8 tp -62.56 -38.57 81.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.79 0.328 . . . . 0.22 110.395 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.34 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.255 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.9 m -62.09 -35.67 79.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 1.03 110.56 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 23' ' ' TYR . 2.9 tm? -71.05 -45.9 62.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.18 110.049 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 129' ' ' SER . 44.9 mtp -58.59 -51.99 67.54 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.26 111.26 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 130' ' ' MET . 33.8 mmtp -72.9 -17.94 61.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.931 -0.577 . . . . 1.34 111.255 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -71.52 -59.46 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.026 -0.533 . . . . 0.47 111.449 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -95.88 -25.83 15.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 1.63 111.599 -172.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 125' ' ' MET . 66.5 m -103.14 31.99 3.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.127 0.489 . . . . 1.11 110.157 176.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.429 ' H ' ' HG3' ' A' ' 130' ' ' MET . 0.0 OUTLIER -55.75 143.52 30.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.344 -0.844 . . . . 3.86 111.509 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.604 -0.712 . . . . 4.4 110.139 -178.619 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.459 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . 14.8 t . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.999 0.428 . . . . 1.81 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.726 . . . . 0.97 111.187 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -75.13 -44.83 44.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.045 0.45 . . . . 1.64 109.971 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 1.7 m-20 -65.92 -46.1 79.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 2.69 111.357 -177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD12 ' HD2' ' A' ' 18' ' ' LYS . 5.7 tp -61.33 -36.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.405 0.622 . . . . 0.59 110.13 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.7 ttt180 -65.8 -47.29 75.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 1.88 110.199 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.5 mtp -60.01 -39.38 85.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.312 . . . . 1.78 111.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.716 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.4 ptpp? -74.44 -33.17 62.87 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.073 -0.651 . . . . 1.61 110.898 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.712 ' HD2' ' CE1' ' A' ' 23' ' ' TYR . 3.8 tmtp? -74.5 -38.79 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.934 -0.479 . . . . 0.99 110.754 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 16' ' ' ARG . 33.9 m -67.06 -31.75 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.686 -0.234 . . . . 0.21 111.077 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 15.8 ptp -70.19 -30.62 67.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.565 -0.454 . . . . 2.72 109.959 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.716 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 38.4 mt-30 -62.9 -50.44 70.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.035 -0.728 . . . . 1.05 109.035 172.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.712 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 41.1 m-85 -63.0 -35.46 80.28 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.401 -0.818 . . . . 0.38 110.471 177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.572 ' HA ' ' SG ' ' A' ' 46' ' ' CYS . 42.8 ttt180 -58.4 -40.21 81.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.691 . . . . 0.57 110.58 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 21' ' ' MET . 85.1 mtt180 -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.209 0.528 . . . . 2.87 110.592 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 120' ' ' GLN . . . -78.67 -13.02 60.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.28 111.194 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -20.93 15.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.792 -0.64 . . . . 0.21 110.758 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 94.8 m -76.86 105.28 7.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.133 0.492 . . . . 0.2 109.994 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 28' ' ' THR . 2.9 mptm? -149.18 165.71 31.01 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.377 -0.828 . . . . 0.79 109.479 -175.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.36 125.77 56.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 107.993 -1.114 . . . . 1.03 107.993 169.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.13 149.57 15.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.205 -0.452 . . . . 0.26 110.409 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 10.0 tmtt? -101.9 121.09 41.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.985 0.421 . . . . 0.67 110.394 -178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' O ' ' HA ' ' A' ' 39' ' ' SER . 16.8 mt -85.82 143.57 28.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.89 -0.595 . . . . 0.21 110.651 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HE2' ' OG1' ' A' ' 107' ' ' THR . 25.8 mtmt -146.04 106.03 4.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.84 109.853 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 37' ' ' LEU . 4.7 t -169.36 -170.87 1.15 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.209 -0.293 . . . . 0.34 110.209 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -60.38 -18.92 53.59 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.264 0.554 . . . . 3.02 110.413 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB3' HG23 ' A' ' 35' ' ' THR . 30.4 tp -63.2 -66.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 1.0 108.876 174.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 2.8 p90 -178.46 -175.38 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.487 -0.778 . . . . 0.82 109.205 176.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.65 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 10.1 p -129.21 99.32 5.19 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.205 -0.665 . . . . 0.34 109.205 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -146.84 156.15 42.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.178 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 20.2 m -83.26 117.03 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.235 -0.654 . . . . 0.32 109.235 174.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -121.56 153.43 25.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 120.818 0.342 . . . . 0.23 110.351 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 55' ' ' TRP . 26.0 ttpp -98.75 116.54 31.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.631 -0.878 . . . . 1.61 108.631 171.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -100.33 157.99 3.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.404 -0.362 . . . . 0.35 110.207 -175.139 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -178.97 -169.39 0.15 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.413 -0.812 . . . . 0.21 108.939 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' A' ' 24' ' ' ARG . 25.9 p -136.78 162.88 31.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.881 -0.414 . . . . 0.19 109.881 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 t -65.09 170.74 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.439 -0.346 . . . . 1.15 110.712 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.92 -47.96 81.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.929 0.344 . . . . 2.1 111.929 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.73 6.81 26.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.71 110.405 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.04 6.46 68.26 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.894 -0.593 . . . . 0.43 113.584 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -70.06 -24.79 63.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.683 0.623 . . . . 1.99 112.683 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 75' ' ' PRO . 14.1 mt-10 -134.83 150.19 50.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.148 0.425 . . . . 1.49 112.148 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 76' ' ' VAL . 45.2 t -95.8 137.39 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.972 -1.122 . . . . 0.34 107.972 170.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -137.1 158.66 43.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.04 -0.264 . . . . 2.12 110.717 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 12.4 p90 -147.59 151.65 36.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.571 0.7 . . . . 0.29 111.99 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 60' ' ' SER . 17.0 m-85 -113.58 116.57 29.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.848 -1.069 . . . . 0.53 109.145 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -80.88 120.86 25.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.71 0.291 . . . . 1.2 111.314 -173.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.34 -102.73 1.75 Allowed Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.454 -0.658 . . . . 1.35 111.454 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.22 147.99 22.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.641 -0.503 . . . . 4.98 109.641 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.498 ' HA ' ' HB3' ' A' ' 56' ' ' PHE . 50.6 m -76.11 101.46 5.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.259 -0.428 . . . . 3.89 110.83 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.6 m -61.67 100.85 0.16 Allowed 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.472 0.653 . . . . 2.95 109.752 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' A' ' 67' ' ' ARG . . . -85.47 87.77 7.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.469 0.652 . . . . 1.69 111.556 -171.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.479 ' HA3' ' HB2' ' A' ' 69' ' ' LYS . . . -62.44 128.71 41.72 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 114.928 -1.033 . . . . 1.99 113.168 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 56.86 28.31 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.195 0.598 . . . . 1.76 112.054 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 73.06 -38.08 0.41 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.195 0.598 . . . . 3.33 112.124 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.92 1.05 21.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.586 0.708 . . . . 2.86 110.595 176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.652 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 17.9 mtm180 69.73 65.21 0.24 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.306 -1.315 . . . . 3.34 112.55 170.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 51.89 1.58 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.428 -0.351 . . . . 2.24 110.921 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 40.8 ttmt -140.6 76.52 24.36 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 2.92 110.5 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.36 153.86 73.26 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.982 2.455 . . . . 0.59 111.813 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -92.74 0.06 57.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.966 -0.561 . . . . 1.02 110.28 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.92 172.45 42.39 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.963 -0.637 . . . . 0.26 111.711 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 -177.27 35.42 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.831 -0.7 . . . . 0.4 112.322 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.674 ' CE2' HG12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -162.43 158.66 20.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 110.307 -0.257 . . . . 0.21 110.307 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 52' ' ' GLU . 14.4 Cg_exo -69.53 135.73 31.76 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.449 . . . . 0.25 112.612 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.413 ' HB ' ' SD ' ' A' ' 128' ' ' MET . 78.6 t -64.17 -35.63 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.118 -0.947 . . . . 0.3 111.235 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.68 -13.5 62.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.612 -0.722 . . . . 1.29 110.96 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -103.55 -6.56 21.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.833 -0.621 . . . . 1.54 111.969 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.674 HG12 ' CE2' ' A' ' 74' ' ' PHE . 10.5 mt -64.32 114.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.545 -0.539 . . . . 0.26 109.545 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 97' ' ' ASN . 10.8 t -81.56 -36.1 29.46 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.826 -0.349 . . . . 0.28 111.228 -175.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . 68.5 m -153.36 131.6 11.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.88 111.889 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 125' ' ' MET . 62.7 t -114.94 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.215 -1.032 . . . . 1.36 108.215 170.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HE2' ' HB2' ' A' ' 81' ' ' SER . 0.0 OUTLIER -134.05 166.67 22.2 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.369 -0.832 . . . . 1.7 110.24 -170.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 118' ' ' GLN . 77.9 p -115.19 154.45 28.98 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.212 -0.662 . . . . 0.72 109.212 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.589 ' N ' ' HB3' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -60.78 179.73 0.16 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.331 0.493 . . . . 0.47 112.331 -179.242 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.6 86.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.818 0.342 . . . . 0.72 110.841 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.13 -26.99 13.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.935 -0.394 . . . . 1.59 109.935 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.589 ' HB3' ' N ' ' A' ' 85' ' ' GLN . 8.1 p30 30.41 41.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.215 1.561 . . . . 1.14 115.215 173.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -53.44 -66.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.46 -0.496 . . . . 0.68 109.932 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 5.3 ptpp? -113.71 12.02 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.539 . . . . 1.47 112.245 172.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.509 HG12 ' NE2' ' A' ' 85' ' ' GLN . 4.2 t -108.88 111.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.488 0.551 . . . . 0.39 112.488 -169.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.641 ' HG ' ' OE1' ' A' ' 118' ' ' GLN . 7.8 mp -98.94 149.94 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 0.22 109.999 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.417 ' C ' HD12 ' A' ' 94' ' ' ILE . 2.3 p -133.32 110.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.764 0.792 . . . . 0.24 111.382 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.42 HD13 ' CD2' ' A' ' 106' ' ' PHE . 2.1 mp -118.02 131.37 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 0.18 110.326 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -123.13 145.57 48.48 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.097 -0.334 . . . . 0.2 110.097 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.526 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 p -118.65 145.32 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.769 0.318 . . . . 0.14 111.288 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 24.8 t-20 -122.79 142.27 50.92 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.152 -0.476 . . . . 1.87 110.239 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 99' ' ' PRO . 6.7 t30 100.59 -61.28 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 125.492 1.517 . . . . 0.75 111.294 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 98' ' ' ASN . 35.6 Cg_exo -61.17 172.64 3.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.635 1.557 . . . . 0.4 110.67 164.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.46 110.16 2.66 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 1.87 109.708 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.63 115.16 1.11 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.931 3.087 . . . . 0.57 113.654 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 m -140.55 139.05 34.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.441 -0.799 . . . . 0.33 109.718 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.3 m -111.0 120.03 41.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.28 110.047 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -103.17 125.58 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.3 110.582 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.4 m-80 -105.07 106.85 17.53 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.283 0.563 . . . . 0.46 109.948 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 44' ' ' VAL . 63.3 m-85 -84.89 113.71 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.856 -1.065 . . . . 0.34 109.003 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.507 ' OG1' ' HE2' ' A' ' 34' ' ' LYS . 11.8 m -120.73 135.49 55.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.329 -0.396 . . . . 0.39 110.969 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB2' ' NH2' ' A' ' 114' ' ' ARG . 1.8 t80 -141.64 159.14 42.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.714 -0.476 . . . . 0.39 109.714 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.87 -36.1 81.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.064 0.459 . . . . 1.94 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' A' ' 113' ' ' GLU . 43.9 t -76.05 118.45 71.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 1.03 111.022 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.74 -26.67 38.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.718 2.278 . . . . 1.09 112.046 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.23 -31.83 53.86 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.666 -0.778 . . . . 0.63 111.353 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 110' ' ' SER . 7.1 tp10 -60.99 -41.58 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 1.14 110.012 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.15 -50.14 71.97 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.064 -0.971 . . . . 2.83 109.773 178.303 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 45.6 mt-10 -66.06 -46.09 79.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.295 -1.32 . . . . 1.59 111.487 -175.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 m -57.69 -41.78 82.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.439 0.462 . . . . 1.15 110.86 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -44.62 61.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.593 -0.276 . . . . 0.26 111.087 -176.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.641 ' OE1' ' HG ' ' A' ' 92' ' ' LEU . 7.8 tp60 -55.23 -48.83 73.35 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.846 -0.616 . . . . 0.74 112.028 -174.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 10.7 pt-20 -75.0 -38.77 61.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.986 0.422 . . . . 0.47 111.836 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 26' ' ' ALA . 7.7 mm100 -65.97 -41.92 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.04 -0.527 . . . . 0.32 112.259 -173.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.46 -37.42 78.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.344 -0.389 . . . . 0.22 110.576 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.86 -37.5 81.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.486 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 t -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.736 -0.665 . . . . 1.03 110.081 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 23' ' ' TYR . 3.0 tm? -66.96 -45.38 77.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.948 -0.569 . . . . 0.18 109.778 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.452 ' HG2' HD12 ' A' ' 79' ' ' ILE . 50.7 mtp -57.16 -51.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.26 111.13 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 130' ' ' MET . 46.0 mmtm -72.3 -18.07 61.82 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.06 -0.518 . . . . 1.34 111.435 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.15 -57.57 3.93 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 120.323 -0.551 . . . . 0.47 111.089 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.469 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 1.7 ptm -87.45 -36.59 17.61 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.358 0.503 . . . . 1.63 112.358 -172.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 128' ' ' MET . 37.9 t -88.96 -14.17 37.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.327 . . . . 1.11 111.884 -170.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 126' ' ' LYS . 23.3 mmm -63.23 127.04 29.46 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 3.86 111.1 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 4.4 109.944 179.909 . . . . . . . . 0 0 . 1 stop_ save_