data_2jpt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jpt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.822 0.344 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -72.45 -26.06 61.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.3 mm? -74.27 -48.34 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.487 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -31.9 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.49 -44.81 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.145 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.88 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.42 -37.15 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m -54.06 -47.83 71.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -69.45 -36.69 76.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.1 -40.97 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.83 -56.82 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.85 -43.07 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.74 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 31.4 t80 -71.84 -41.77 67.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.54 70.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -67.76 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.4 p -120.13 147.52 44.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.19 -45.09 0.82 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.4 tttm . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.388 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.826 0.346 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -72.09 167.95 19.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 43.2 pttt -50.41 -45.77 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 96.6 mttt -56.98 -49.91 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.54 -56.87 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.701 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.77 -50.97 71.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HE2' HE22 ' A' ' 38' ' ' GLN . 82.3 tttt -56.82 -49.39 75.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.643 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 39' ' ' THR . 79.9 mm-40 -67.51 -32.4 73.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.8 tt -49.66 -57.56 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.485 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -72.32 -50.97 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.845 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 99.3 mt-30 -48.3 -43.92 33.41 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.305 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 29.2 p -65.2 -29.36 70.17 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.69 -50.52 9.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.16 28.11 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.249 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -52.17 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 -31.66 52.58 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.816 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 46' ' ' ASP . 30.1 t80 -74.04 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.625 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.32 -15.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.482 -179.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 11.8 t0 -57.53 -29.28 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.839 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.4 40.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 51' ' ' ALA . 96.0 mt-30 -78.24 -22.61 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.92 -29.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.81 -31.38 72.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -90.52 129.26 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.626 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.95 -19.53 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.18 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.736 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 16.5 m -53.85 -46.26 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 12.2 t0 -68.6 -29.34 67.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.73 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.76 -46.74 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -32.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.64 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.92 -27.74 53.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -52.9 -31.09 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.75 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.17 -39.15 86.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -51.97 -41.15 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 -26.89 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 65' ' ' GLY . 92.5 m-20 -85.43 24.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -28.22 -50.34 0.09 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.65 -11.74 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.54 -175.16 44.61 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.83 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -135.62 -174.99 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.208 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . 6.0 p -137.76 139.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' VAL . 12.8 t70 -35.13 -88.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -177.62 -74.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 12.9 mp0 -51.25 -32.56 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.776 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.42 -22.76 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.606 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -68.25 -27.01 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.585 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 33.0 m -50.59 -59.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.145 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.585 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.8 p -52.64 -38.79 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.818 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.6 -33.41 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.19 -38.19 73.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.32 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' O ' ' OG1' ' A' ' 82' ' ' THR . . . -64.89 -43.69 92.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.78 -34.8 28.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.916 0.388 . . . . 0.0 110.183 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.44 -33.52 58.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.367 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 79' ' ' ALA . 69.2 p -67.14 -56.58 9.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 6.1 p -49.01 -38.92 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.456 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -46.18 83.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -57.32 -36.9 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 97.4 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.872 0.368 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -72.44 -25.99 61.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.3 mm? -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.416 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.92 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.17 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.59 -44.69 77.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.131 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -32.82 67.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.38 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.94 -43.21 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.36 -37.2 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 m -53.99 -47.89 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -69.44 -36.56 76.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.18 -40.95 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.87 -56.88 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 14.7 p -51.87 -42.98 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 31.2 t80 -71.9 -41.74 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -58.05 -30.42 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.58 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -67.8 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.6 p -120.19 147.45 44.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.12 -45.15 0.82 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.789 0.328 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -71.95 167.93 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.237 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 43.3 pttt -50.47 -45.79 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 96.7 mttt -56.93 -49.89 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.02 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.6 -56.87 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.727 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.79 -50.9 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.736 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.402 ' HE2' HE22 ' B' ' 38' ' ' GLN . 82.3 tttt -56.84 -49.36 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 0.0 110.602 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.9 mm-40 -67.56 -32.43 73.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.12 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.501 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.8 tt -49.69 -57.56 7.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.467 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -72.2 -51.06 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.869 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' B' ' 42' ' ' SER . 99.4 mt-30 -48.27 -43.86 33.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.408 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.515 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 28.6 p -65.27 -29.4 70.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -81.55 -50.63 9.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.908 179.414 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.19 28.16 8.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.234 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.85 -52.14 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.401 ' N ' ' HG ' ' B' ' 42' ' ' SER . . . -76.8 -31.76 52.45 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.221 -0.514 . . . . 0.0 111.819 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.8 t80 -73.97 -59.72 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.659 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.27 -15.01 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.526 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 11.8 t0 -57.62 -29.25 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.113 0.482 . . . . 0.0 109.852 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.92 -25.47 40.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' ALA . 95.8 mt-30 -78.17 -22.68 48.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.99 -29.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.72 -31.54 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -90.41 129.27 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.1 -19.5 62.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.73 -27.27 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 16.6 m -53.91 -46.22 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.463 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 12.2 t0 -68.5 -29.44 68.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -49.74 -46.7 50.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -32.91 29.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.653 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.94 -27.67 53.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -52.95 -31.03 38.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.66 -63.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.13 -39.26 86.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.92 -41.18 61.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.05 -26.91 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' B' ' 65' ' ' GLY . 92.4 m-20 -85.47 24.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -28.32 -50.24 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -110.71 -11.62 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.53 -175.06 44.63 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -135.73 -174.96 3.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.124 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' B' ' 70' ' ' ASP . 5.9 p -137.78 139.1 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 69' ' ' VAL . 12.9 t70 -35.21 -88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.815 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -177.8 -74.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 12.9 mp0 -51.3 -32.51 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.36 -22.78 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -68.27 -26.95 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.593 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 33.0 m -50.47 -60.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.364 -0.535 . . . . 0.0 111.187 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.593 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.7 p -52.67 -38.78 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.72 -33.31 33.96 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.772 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.29 -38.15 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.184 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.492 ' O ' ' OG1' ' B' ' 82' ' ' THR . . . -65.0 -43.61 91.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -34.93 28.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.956 0.407 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.27 -33.58 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 79' ' ' ALA . 69.8 p -67.14 -56.53 9.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 87' ' ' ASN . 6.1 p -49.09 -38.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.22 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.29 -44.41 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -57.26 -36.96 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' B' ' 83' ' ' VAL . 97.4 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.516 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.417 ' H ' ' CB ' ' B' ' 40' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.346 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -22.96 61.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.6 mm? -74.36 -49.62 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -32.53 40.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.338 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 m -66.8 -41.8 86.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.01 -33.73 70.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.2 -41.14 68.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.11 -40.7 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.96 -45.94 71.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.695 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.91 -34.59 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.55 -43.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -63.35 -56.21 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.87 -38.89 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.557 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 64.1 t80 -72.2 -50.64 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.6 -27.26 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.2 75.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.7 -99.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -113.54 143.69 44.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.0 -45.22 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 tttt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.329 . . . . 0.0 110.508 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.761 0.315 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.37 166.29 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.21 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 42.5 pttt -50.64 -45.77 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.318 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 81.4 mttt -58.47 -50.13 74.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.617 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.4 37.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -75.14 -55.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.45 -42.29 66.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.491 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' A' ' 39' ' ' THR . 80.3 mm-40 -71.63 -33.16 68.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.278 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.526 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.3 tt -50.01 -57.55 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.312 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -54.93 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.631 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.7 mt-30 -48.33 -49.46 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.1 p -59.82 -29.85 68.53 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.68 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.25 -52.32 7.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.281 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.13 28.44 8.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.932 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -50.62 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.996 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.23 34.93 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.3 t80 -68.83 -60.16 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.621 0.248 . . . . 0.0 111.592 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.351 -179.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.534 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 7.4 t0 -55.2 -27.02 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 109.792 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 -25.12 30.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.443 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.44 -27.21 38.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -43.93 -31.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.408 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.75 -28.38 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.81 134.03 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 45.4 p-10 -71.18 -19.45 62.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.42 -28.41 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 21.4 m -55.38 -47.47 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 4.0 t70 -64.54 -29.17 70.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.775 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -49.42 -45.59 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -32.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.8 -30.4 67.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.544 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.78 -30.73 34.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.53 -56.99 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.0 -25.15 55.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.862 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -46.48 89.33 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.4 -28.15 18.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' GLY . 90.5 m-20 -88.81 24.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.494 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -29.12 -46.54 0.07 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.64 -13.69 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.457 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.39 -173.95 44.72 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.63 -174.9 3.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.228 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 70' ' ' ASP . 6.0 p -136.85 138.23 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.429 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 69' ' ' VAL . 13.6 t70 -34.23 -95.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -169.75 -75.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.245 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.683 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 10.6 mp0 -51.63 -31.55 25.73 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.69 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -48.09 -22.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.676 0.274 . . . . 0.0 111.452 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -66.29 -27.33 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.742 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.584 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 35.0 m -51.0 -60.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.359 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.584 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 p -53.93 -37.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.811 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.55 -38.49 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.29 -32.68 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.627 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.934 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -43.8 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.45 -32.47 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.084 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -54.64 -58.9 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.44 -37.21 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.74 64.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.568 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.85 -40.16 95.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.414 ' H ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -23.05 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -74.22 -49.74 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.29 -32.61 38.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.386 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.4 m -66.83 -41.67 87.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.81 70.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.17 -41.12 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.07 -40.69 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.7 m -53.95 -45.82 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.06 -34.61 68.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.43 -43.72 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.42 -56.22 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.017 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -51.8 -38.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.66 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 64.1 t80 -72.32 -50.6 25.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.58 -27.34 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.3 75.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.69 -99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -113.56 143.79 43.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.09 -45.23 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 70.0 tttt . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.559 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.702 0.287 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.39 166.21 22.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.153 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 42.4 pttt -50.43 -45.89 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 81.3 mttt -58.47 -50.07 75.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.679 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -43.23 38.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -75.06 -55.32 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -53.46 -42.21 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.993 0.425 . . . . 0.0 110.529 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' B' ' 39' ' ' THR . 80.2 mm-40 -71.71 -33.0 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.346 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.525 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.2 tt -50.17 -57.51 7.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.242 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -54.91 15.02 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.639 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.6 mt-30 -48.33 -49.49 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.1 p -59.76 -29.92 68.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.703 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.22 -52.27 7.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.294 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.06 28.35 8.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.993 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.619 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.66 -50.56 13.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.77 -37.3 34.52 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.421 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.4 t80 -68.72 -60.27 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.61 0.243 . . . . 0.0 111.557 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.49 -15.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.426 -179.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.536 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 7.4 t0 -55.24 -27.06 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.04 -25.11 30.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.5 -27.12 37.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.71 -28.49 67.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.75 134.03 39.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.683 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 45.2 p-10 -71.17 -19.46 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.52 -28.34 13.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 21.5 m -55.39 -47.5 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 110.354 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 4.0 t70 -64.52 -29.31 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -49.37 -45.6 46.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -32.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.77 -30.47 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.559 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -52.76 -30.75 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.747 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -68.48 -57.06 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -75.83 -25.23 56.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.932 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -46.53 89.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.36 -28.22 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 90.6 m-20 -88.71 24.48 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -29.08 -46.51 0.07 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.65 -13.78 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.466 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.31 -173.86 44.82 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.877 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.67 -174.97 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.243 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' B' ' 70' ' ' ASP . 6.0 p -136.83 138.21 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.416 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' B' ' 69' ' ' VAL . 13.8 t70 -34.22 -95.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -169.73 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.263 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.691 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 10.6 mp0 -51.67 -31.51 26.04 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.707 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -48.13 -22.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.497 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -66.22 -27.41 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 35.2 m -51.0 -60.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.348 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.594 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.1 p -53.98 -37.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.846 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.5 -38.48 54.25 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.37 -32.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.515 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.9 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -43.83 57.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.48 -32.38 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.038 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -54.73 -58.88 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.44 -37.17 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.66 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.89 -40.11 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.702 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.629 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.98 -22.78 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.5 mm? -74.33 -48.91 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -33.2 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.204 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -63.52 -43.44 97.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.78 -34.46 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -53.96 -41.57 67.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -71.95 -39.94 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -54.05 -46.38 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.55 -35.55 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -34.83 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.41 -56.4 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.006 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.79 -39.15 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.793 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 67.7 t80 -71.24 -43.55 67.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.648 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -57.91 -33.05 68.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -72.1 -100.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.2 132.45 55.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -41.4 0.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 tttp . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.454 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 82.1 mt . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.726 0.298 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -97.95 169.71 9.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.63 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 15.9 pttp -50.44 -45.13 55.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 23.6 mtpp -67.63 -49.32 63.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' LEU . 37.4 mm-40 -47.67 -56.52 7.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.959 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.69 -56.06 25.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.95 -45.09 74.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 39' ' ' THR . 79.6 mm-40 -71.29 -32.66 68.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -50.0 -57.27 7.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.314 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -55.7 10.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.702 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.0 mt-30 -48.28 -46.76 36.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 53.2 p -62.27 -30.13 70.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.55 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.31 -52.38 6.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.352 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.52 28.12 8.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -49.51 14.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.0 -38.58 30.0 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' N ' ' A' ' 46' ' ' ASP . 28.8 t80 -67.46 -60.36 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.452 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.241 -179.187 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 t70 -55.96 -30.01 61.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.982 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.79 -18.87 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.2 mt-30 -89.0 -24.19 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.77 -31.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -61.31 -27.74 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.78 130.06 39.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -68.95 -19.45 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.85 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 15.1 m -51.48 -44.71 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.179 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 5.2 t70 -65.91 -29.5 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.64 -45.16 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.56 -32.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 mmt -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.82 -30.79 35.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.3 -25.16 65.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLY . 26.3 t70 -58.93 -45.47 90.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.495 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -49.7 -27.47 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.252 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLY . 76.9 m-20 -88.54 24.45 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.452 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 30' ' ' LYS . . . -30.59 -46.45 0.12 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -111.54 -10.3 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -173.03 44.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 121.617 0.565 . . . . 0.0 112.377 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -131.65 -174.83 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.186 -0.507 . . . . 0.0 110.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 28' ' ' LEU . 14.2 p -141.15 140.46 32.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.76 0.314 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 27.8 t70 -46.19 -103.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.68 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -158.42 -72.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.402 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.68 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 11.1 mp0 -50.86 -34.61 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -48.51 -22.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.669 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.45 63.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.488 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.595 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 34.5 m -50.21 -60.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.614 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.595 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.7 p -53.83 -37.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.831 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.63 -39.42 58.04 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.16 -32.55 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.01 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.033 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.41 56.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.36 -31.95 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.7 m -56.44 -61.79 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.719 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.52 -39.02 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.702 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.18 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.71 -39.33 76.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -58.9 -40.01 83.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.904 0.383 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.93 -22.85 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.5 mm? -74.28 -48.91 25.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -33.23 56.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -63.46 -43.48 97.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.03 -41.47 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.97 -39.99 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.734 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.99 -46.37 71.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.825 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.21 -35.01 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.33 -56.28 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.84 -39.28 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 67.5 t80 -71.11 -43.52 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -57.93 -33.09 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.43 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -72.17 -100.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.615 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.23 132.53 55.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.11 -41.42 0.83 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 tttp . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.478 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 69' ' ' VAL . 81.7 mt . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.659 0.266 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -98.06 169.7 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' B' ' 65' ' ' GLY . 16.0 pttp -50.43 -45.19 55.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 23.7 mtpp -67.48 -49.33 64.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.303 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' B' ' 36' ' ' LEU . 37.5 mm-40 -47.69 -56.49 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.976 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.6 -56.2 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.784 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.82 -45.17 74.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 110.46 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' B' ' 39' ' ' THR . 79.6 mm-40 -71.24 -32.73 69.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.05 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.97 -57.24 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.397 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.73 10.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.73 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.9 mt-30 -48.21 -46.92 35.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 54.7 p -62.15 -30.17 70.86 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.577 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.37 -52.27 7.06 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.342 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.63 28.19 8.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.9 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.75 -49.5 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 -38.54 30.05 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' B' ' 46' ' ' ASP . 28.8 t80 -67.44 -60.36 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.507 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.62 -15.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.288 -179.239 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.3 t70 -56.1 -29.96 61.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.899 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.7 -18.94 46.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -88.93 -24.3 22.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.8 -31.72 0.89 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.424 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -61.28 -27.77 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.72 130.07 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -68.99 -19.45 64.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.83 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 15.2 m -51.52 -44.62 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.965 0.412 . . . . 0.0 110.196 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 5.2 t70 -66.01 -29.46 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.69 -45.16 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -32.97 32.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmt -59.19 -35.09 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.86 -30.85 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.2 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.755 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.42 -25.11 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 65' ' ' GLY . 26.4 t70 -58.89 -45.49 90.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.593 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -49.69 -27.43 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 77.1 m-20 -88.62 24.45 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.412 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.551 ' O ' ' CD ' ' B' ' 30' ' ' LYS . . . -30.61 -46.46 0.13 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -111.48 -10.31 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.44 -173.0 44.55 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 121.532 0.518 . . . . 0.0 112.355 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.71 -174.74 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.057 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 70' ' ' ASP . 14.2 p -141.22 140.41 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.756 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 69' ' ' VAL . 27.8 t70 -46.16 -103.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -158.31 -72.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.464 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.682 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 11.0 mp0 -50.91 -34.57 29.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -48.53 -22.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.556 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.52 63.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.603 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 34.6 m -50.25 -60.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.536 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.603 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.7 p -53.86 -37.34 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.796 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.62 -39.45 58.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 52.0 t -65.1 -32.59 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.63 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.05 93.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.007 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.43 -43.48 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.37 -31.97 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.004 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -56.42 -61.74 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.48 -39.14 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.29 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.68 -39.26 77.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -58.96 -40.02 83.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.658 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.599 -179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.523 ' O ' ' OG ' ' A' ' 2' ' ' SER . 1.5 t . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 121.155 0.502 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -69.35 -25.97 64.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.0 mm? -74.32 -47.58 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.401 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -38.09 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -61.0 -41.37 96.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.324 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.57 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.12 -43.14 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.613 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.27 -38.9 68.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.9 m -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 mt -72.34 -34.21 67.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -74.35 -35.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -67.74 -57.3 6.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 7.2 p -52.57 -40.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.703 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 62.0 t80 -69.22 -41.2 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.69 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -61.46 -27.07 68.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.76 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -70.92 -98.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.8 p -120.0 145.42 46.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.18 -45.0 1.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttm . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.795 0.331 . . . . 0.0 110.517 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 N--CA 1.461 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -69.32 162.83 26.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 21.9 pttm -50.73 -44.2 58.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 67.6 mttm -58.66 -50.05 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.15 -55.95 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.707 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.04 -52.6 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.39 -48.74 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' A' ' 39' ' ' THR . 80.5 mm-40 -66.51 -32.57 74.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.037 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.5 tt -49.66 -57.42 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.248 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -56.09 8.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.7 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.7 mt-30 -48.33 -48.58 36.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 48.6 p -61.52 -29.83 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.722 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.14 -51.43 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.345 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.44 28.08 9.07 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.191 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -45.86 -47.55 16.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.91 0.386 . . . . 0.0 110.56 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.23 -36.66 34.22 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 46' ' ' ASP . 18.5 t80 -74.0 -55.55 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -50.26 -12.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.413 -178.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.1 t70 -56.26 -27.95 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 109.755 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.45 -32.26 26.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.448 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ALA . 29.7 mt-30 -66.55 -25.17 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -43.89 -32.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.441 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.05 -34.36 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -86.85 126.84 34.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.73 -20.01 62.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.09 -31.28 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 23.2 m -49.4 -44.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 4.9 t70 -72.05 -29.84 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.05 -45.84 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.765 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -32.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.502 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.32 -27.89 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -55.28 -35.08 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.46 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.781 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.52 -40.7 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.46 -42.04 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.7 -31.69 68.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.3 m-20 -81.83 24.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.583 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -25.99 -50.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.54 -7.78 14.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.54 -175.42 44.57 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.851 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.05 144.65 36.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.485 -0.357 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 70' ' ' ASP . 8.3 p -93.96 138.92 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.4 t70 -36.07 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -170.64 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.691 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.3 mp0 -55.83 -32.9 63.98 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.27 -22.82 0.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.411 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.45 -27.33 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.735 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.575 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 35.5 m -50.79 -60.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.198 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.575 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.0 p -55.04 -37.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.66 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.67 -38.19 53.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.52 -32.56 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.507 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -43.57 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.104 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.52 55.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.5 -31.86 57.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -54.99 -59.14 5.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.74 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.11 -39.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.07 -54.06 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.0 t -63.42 -39.09 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.23 -42.88 87.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.713 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 2' ' ' SER . 1.5 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.128 0.489 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.37 -25.94 64.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.0 mm? -74.26 -47.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.418 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -37.96 64.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -61.08 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.65 69.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mtt -53.06 -43.22 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.16 -39.02 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.7 m -53.8 -45.07 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.698 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.25 -34.18 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.8 mt -74.28 -35.61 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.006 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.74 -57.18 6.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.261 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.3 p -52.58 -40.92 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.791 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 62.1 t80 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -61.52 -27.0 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.66 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -70.85 -98.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -119.97 145.52 46.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.09 -45.11 1.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 tttm . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.822 0.344 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -69.29 162.79 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.106 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.579 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 21.9 pttm -50.59 -44.31 56.88 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.489 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 67.7 mttm -58.62 -50.15 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.07 -55.94 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.08 -52.55 64.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.46 -48.73 76.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 80.5 mm-40 -66.49 -32.54 73.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.515 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.5 tt -49.74 -57.34 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.319 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -56.06 8.84 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.741 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' B' ' 42' ' ' SER . 23.7 mt-30 -48.49 -48.45 37.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 48.1 p -61.64 -29.72 70.25 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.685 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.21 -51.4 7.98 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.359 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -111.38 28.04 9.11 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.618 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -45.87 -47.58 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.474 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.14 -36.79 34.18 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' B' ' 46' ' ' ASP . 18.6 t80 -73.97 -55.53 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.2 OUTLIER -50.23 -13.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.458 -178.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 2.1 t70 -56.3 -27.84 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.36 26.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.392 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.48 -25.1 66.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.688 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -43.97 -32.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.07 -34.31 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.87 126.84 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.72 -20.01 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.24 30.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 23.3 m -49.4 -44.17 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.411 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 4.9 t70 -72.01 -29.77 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.09 -45.76 68.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -32.65 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.39 -27.88 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.73 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -55.34 -35.06 64.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.36 -63.23 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.43 -40.79 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.44 -42.05 63.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.716 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' B' ' 65' ' ' GLY . 83.5 tt0 -58.69 -31.6 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.659 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.5 m-20 -81.99 24.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.615 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.579 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -26.02 -50.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.57 -7.72 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.504 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.59 -175.42 44.5 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.843 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.91 144.73 37.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.541 -0.329 . . . . 0.0 110.345 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' B' ' 70' ' ' ASP . 8.2 p -94.13 138.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 69' ' ' VAL . 21.5 t70 -36.06 -95.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.635 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.9 OUTLIER -170.67 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.69 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.3 mp0 -55.94 -32.75 64.09 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.41 -22.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -66.43 -27.42 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.583 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 35.5 m -50.6 -60.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.244 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.583 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.0 p -55.08 -37.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.676 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.58 -38.15 53.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.405 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.1 t -68.6 -32.54 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.411 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.5 79.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.17 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.61 -43.51 56.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 109.943 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.48 -31.85 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.198 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 40.9 m -55.14 -59.1 5.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.706 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.1 -39.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 -54.1 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.35 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.33 -42.86 87.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' A' ' 5' ' ' GLU . 26.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.889 0.376 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -72.36 -25.88 61.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.543 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 1.7 mm? -74.34 -48.13 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.447 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.24 -31.78 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m -68.69 -44.62 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.257 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.82 68.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.97 -43.29 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -72.27 -37.15 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.734 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.9 m -54.24 -49.32 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.43 -37.57 87.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -74.29 -37.67 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 13' ' ' ASN . 2.6 m120 -64.79 -56.96 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -51.84 -40.16 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.791 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.642 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 81.4 t80 -68.16 -46.65 70.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.347 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -57.45 -32.31 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.56 84.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.49 -99.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -120.11 127.31 52.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 tttp . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.465 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.473 ' OG ' ' OE2' ' A' ' 32' ' ' GLU . 12.3 p -72.22 168.07 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.438 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 18.6 pttp -50.7 -45.19 58.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.703 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 26.1 mtpt -61.28 -47.29 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.04 8.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 33' ' ' LEU . 2.7 tt -63.15 -53.94 45.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -50.82 -49.31 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 80.4 mm-40 -65.77 -32.63 74.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.329 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.8 tt -49.8 -57.54 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.486 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -72.32 -53.78 11.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.073 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' SER . 96.7 mt-30 -48.19 -44.07 32.4 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.668 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.506 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 40.0 p -65.06 -29.29 70.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.52 -51.44 8.26 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -109.72 27.97 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.186 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.0 -48.73 16.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.18 -35.58 37.73 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' C ' ' H ' ' A' ' 46' ' ' ASP . 21.6 t80 -73.96 -56.31 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -50.16 -14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.335 -178.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.2 t70 -58.42 -26.86 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.869 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.77 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.73 -35.04 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.35 126.93 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 55.8 p30 -70.87 -19.8 62.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.85 -32.53 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 17.1 m -52.59 -43.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 5.3 t70 -68.75 -29.61 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -49.76 -46.88 51.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -33.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.758 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.32 -27.7 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.606 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.78 -31.08 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.9 -63.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.26 -35.89 80.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -57.22 -52.02 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.689 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 65' ' ' GLY . 77.2 tt0 -58.13 -26.1 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.444 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . 56.9 m-20 -81.37 24.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.13 -48.54 0.1 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.7 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 110.355 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.28 -175.32 44.95 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.68 -174.84 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.63 141.78 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -42.38 -90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.699 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -174.09 -57.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.463 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.698 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.6 mp0 -71.24 -29.29 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -48.08 -22.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.657 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -68.0 -27.03 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.581 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 30.8 m -50.79 -60.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.154 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.581 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 p -54.52 -38.7 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.74 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.95 -33.17 36.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.641 -0.424 . . . . 0.0 109.89 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.3 -36.51 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -50.97 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.94 -31.61 18.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.75 -45.44 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.246 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -71.91 -47.43 52.65 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.25 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' N ' ' CG2' ' A' ' 82' ' ' THR . 8.1 p -51.47 -40.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.466 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -69.43 -35.14 75.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.302 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.9 -50.52 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.44 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -55.83 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.484 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 96.1 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.455 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' CD ' ' B' ' 5' ' ' GLU . 26.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.363 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -72.37 -25.85 61.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.551 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.7 mm? -74.33 -48.13 30.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.15 -31.91 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -68.61 -44.6 73.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.25 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.69 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.95 -43.39 63.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.505 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.21 -37.19 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -54.21 -49.39 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.751 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.39 -37.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -74.3 -37.65 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HD21 ' B' ' 13' ' ' ASN . 2.7 m120 -64.83 -56.91 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.82 -40.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.651 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 81.4 t80 -68.22 -46.65 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -57.35 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.5 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.46 -99.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -120.15 127.28 52.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 tttp . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.352 . . . . 0.0 110.465 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.733 0.302 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.483 ' OG ' ' OE2' ' B' ' 32' ' ' GLU . 12.2 p -72.1 168.13 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.419 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.522 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 18.8 pttp -50.87 -45.06 59.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.522 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 26.0 mtpt -61.35 -47.28 86.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.1 8.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.672 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.03 -54.03 44.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HE3' HE22 ' B' ' 38' ' ' GLN . 16.7 tttp -50.74 -49.36 58.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.528 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' B' ' 39' ' ' THR . 80.2 mm-40 -65.76 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.273 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.483 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.8 tt -49.77 -57.53 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.532 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 40' ' ' GLU . 0.1 OUTLIER -72.37 -53.6 11.85 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.124 -178.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 96.6 mt-30 -48.33 -44.05 33.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.636 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 40.0 p -65.03 -29.3 70.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -81.55 -51.36 8.33 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.855 179.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.76 27.96 9.05 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.182 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.05 -48.66 16.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.577 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.48 37.65 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.7 t80 -74.07 -56.22 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.11 -14.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.43 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.2 t70 -58.35 -26.96 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.967 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -35.63 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.531 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.54 -26.06 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.68 -35.09 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.32 127.02 35.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 55.8 p30 -70.96 -19.76 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.77 -32.58 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 17.0 m -52.53 -43.03 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 5.3 t70 -68.89 -29.46 67.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -49.84 -46.9 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -32.99 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.784 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.5 -27.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -52.77 -31.04 36.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.694 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.02 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.27 -35.86 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.646 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -57.28 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' B' ' 65' ' ' GLY . 77.1 tt0 -58.01 -26.16 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 67' ' ' GLY . 56.6 m-20 -81.27 24.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.27 -48.45 0.1 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.65 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.372 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.38 -175.34 44.8 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.75 -174.85 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 110.241 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 141.83 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -42.38 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.704 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -174.07 -58.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.7 mp0 -71.11 -29.27 65.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.66 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -48.26 -22.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.547 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -68.05 -27.05 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.592 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 30.5 m -50.79 -59.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.286 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.592 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.2 p -54.42 -38.79 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.726 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.93 -33.21 36.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.25 -36.57 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.99 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.762 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.9 -31.61 18.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 0.0 110.401 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.83 -45.35 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.26 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -71.98 -47.41 52.3 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.224 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.2 p -51.47 -40.67 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -69.43 -35.21 75.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.79 -50.61 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.423 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.89 -37.47 68.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 96.1 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 10' ' ' THR . 65.7 mm-40 -72.06 -27.75 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.4 mm? -74.24 -48.27 29.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -31.85 27.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -66.35 -44.16 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.01 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.79 67.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 mtp -51.81 -43.21 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.21 -38.31 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 3' ' ' GLU . 18.0 m -53.88 -45.59 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.725 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -71.03 -35.12 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.98 -39.0 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.703 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.97 -35.19 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.6 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.67 -33.86 73.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.18 89.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -75.17 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.1 t -120.24 136.65 54.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.06 -45.08 0.65 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.318 . . . . 0.0 110.634 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.747 0.308 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.48 164.33 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.313 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 22.0 pttt -50.62 -48.09 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.993 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 53.4 mttm -57.91 -50.34 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.09 -45.36 75.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.957 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 2.5 tt -75.22 -56.36 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.714 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HE2' HE22 ' A' ' 38' ' ' GLN . 76.8 tttt -49.19 -41.37 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' OG1' ' A' ' 39' ' ' THR . 63.8 mm-40 -72.05 -31.94 66.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.6 tt -48.75 -57.34 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -72.24 -54.11 10.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.976 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.603 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.6 mt-30 -48.51 -44.61 36.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.506 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 41.9 p -63.95 -29.34 70.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.06 -50.47 9.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.415 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.8 8.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.017 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -46.47 -50.43 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.714 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.08 -33.33 45.62 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 26.4 t80 -74.19 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.2 -15.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.324 -178.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 10.3 t0 -55.49 -27.04 46.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.065 0.459 . . . . 0.0 109.856 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.22 -37.76 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ALA . 47.3 mt-30 -69.32 -26.46 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.78 -34.48 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 62.4 t0 -60.49 -33.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -85.99 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 54.0 p30 -70.95 -19.47 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.56 -29.35 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 13.4 m -55.55 -45.63 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 22.9 t0 -65.76 -29.38 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.38 50.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -33.03 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.739 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.8 mmt -55.78 -28.22 54.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.444 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.12 -30.8 60.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.352 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.88 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.01 -31.29 70.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.0 t70 -66.02 -53.26 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 84.8 tt0 -39.95 -61.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 67' ' ' GLY . 91.9 m-20 -93.46 24.79 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -37.87 -51.04 2.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.97 -25.82 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.592 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -91.53 -160.26 36.16 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.71 -174.9 4.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.321 -0.439 . . . . 0.0 109.958 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' ASP . 5.6 p -149.11 150.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.741 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' VAL . 40.9 t0 -42.45 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 t80 -179.44 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.489 ' OE1' ' N ' ' A' ' 72' ' ' GLN . 7.6 mp0 -50.67 -38.28 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -48.41 -22.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.596 ' N ' ' CD1' ' A' ' 74' ' ' TYR . 33.8 m -50.77 -59.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.805 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.575 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.0 p -54.26 -38.91 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.769 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.8 -32.87 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.97 -35.44 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -50.59 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.944 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.93 -31.2 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.413 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.86 -48.56 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.0 OUTLIER -69.64 -46.88 65.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.281 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.546 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 6.1 p -52.87 -40.36 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.601 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.443 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -63.82 -34.0 76.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -74.02 -40.87 62.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.565 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -39.38 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 70.8 m-80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 10' ' ' THR . 65.5 mm-40 -72.05 -27.69 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.922 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.4 mm? -74.27 -48.31 29.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -31.91 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -66.21 -44.21 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -32.67 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.271 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 19.0 mtp -51.9 -43.25 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.22 -38.2 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 3' ' ' GLU . 18.0 m -53.9 -45.66 71.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.9 -35.11 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.06 -38.89 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.07 -35.14 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.7 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.642 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.57 -33.89 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.692 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.27 89.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -75.1 -100.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.643 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.2 t -120.25 136.69 54.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -45.12 0.65 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.747 0.308 . . . . 0.0 110.68 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.44 164.3 11.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.559 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 22.1 pttt -50.56 -48.14 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.559 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 53.5 mttm -57.84 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.07 -45.31 75.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' B' ' 33' ' ' LEU . 2.5 tt -75.31 -56.26 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HE2' HE22 ' B' ' 38' ' ' GLN . 77.0 tttt -49.2 -41.32 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.444 . . . . 0.0 110.315 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.5 ' O ' ' OG1' ' B' ' 39' ' ' THR . 63.8 mm-40 -72.15 -31.86 66.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.774 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.5 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.0 -57.22 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.369 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 40' ' ' GLU . 0.1 OUTLIER -72.21 -54.19 10.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.89 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.6 mt-30 -48.48 -44.63 35.96 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.426 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 42.0 p -63.93 -29.35 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -81.0 -50.48 9.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.458 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.98 27.77 8.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.932 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.596 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -46.56 -50.39 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.05 -33.32 45.75 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.432 ' C ' ' N ' ' B' ' 46' ' ' ASP . 26.8 t80 -74.22 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.14 -15.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.382 -178.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.526 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 10.4 t0 -55.51 -27.03 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 109.877 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.19 -37.89 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' B' ' 51' ' ' ALA . 47.5 mt-30 -69.18 -26.48 64.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.747 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -43.77 -34.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.4 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 62.3 t0 -60.57 -33.5 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.486 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -85.97 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 54.0 p30 -70.93 -19.44 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.584 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.66 -29.36 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 13.3 m -55.59 -45.6 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.419 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 22.9 t0 -65.73 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.643 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.31 50.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -33.02 32.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.733 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.7 -28.18 54.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.357 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -55.18 -30.87 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.34 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.94 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.05 -31.33 70.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 24.0 t70 -65.97 -53.28 40.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 84.8 tt0 -39.86 -61.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . 91.9 m-20 -93.51 24.77 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.229 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.93 -51.05 2.07 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.91 -25.85 65.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.614 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.52 -160.15 36.07 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.75 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.403 -0.398 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.7 p -149.12 150.98 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 40.8 t0 -42.54 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.368 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 22.1 t80 -179.51 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 7.6 mp0 -50.73 -38.22 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.637 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -48.45 -22.71 0.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -68.36 -26.31 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.61 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.598 ' N ' ' CD1' ' B' ' 74' ' ' TYR . 33.7 m -50.46 -59.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.873 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.584 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.0 p -54.34 -38.86 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.675 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -51.87 -32.84 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.94 -35.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.266 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.57 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.2 16.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.396 . . . . 0.0 110.488 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.91 -48.51 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.0 OUTLIER -69.69 -46.82 65.16 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.291 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.547 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 6.0 p -52.91 -40.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.441 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -63.91 -34.03 77.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.98 -40.83 62.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -39.39 87.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 70.9 m-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.401 ' H ' ' HB3' ' B' ' 40' ' ' GLU . 1.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.981 0.42 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.511 ' O ' ' CG2' ' B' ' 10' ' ' THR . 72.5 mm-40 -72.29 -25.12 61.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.791 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 1.8 mm? -74.52 -42.01 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -36.37 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.287 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 m -60.07 -44.19 94.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.93 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 mtt -55.17 -46.0 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -69.7 -36.05 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' B' ' 3' ' ' GLU . 15.6 m -57.1 -46.37 82.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.18 -38.31 69.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.44 -32.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -64.71 -57.22 9.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.81 -39.91 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 83.1 t80 -64.23 -47.43 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 5.6 t-80 -63.16 -31.2 72.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.94 73.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -67.31 -97.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -120.02 133.0 55.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.468 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.84 -45.16 3.19 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 tttt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.576 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.331 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.84 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.396 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 16.8 pttp -50.59 -46.11 57.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.505 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.1 mtpt -58.36 -50.24 74.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.635 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -51.3 -37.76 49.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -75.19 -56.6 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.477 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.76 -37.96 71.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.243 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' OG1' ' A' ' 39' ' ' THR . 71.2 mm-40 -72.0 -33.58 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.1 tt -50.79 -58.46 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.466 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -50.1 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.83 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 90.2 mt-30 -48.48 -49.48 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.914 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.527 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 22.0 p -62.48 -29.84 70.82 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.742 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.527 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -82.29 -52.23 7.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.93 28.31 7.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.743 0.306 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -48.95 -50.12 37.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.344 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 -38.99 31.12 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.026 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 46' ' ' ASP . 27.3 t80 -67.3 -60.1 2.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.37 -16.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.325 -179.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 9.5 t0 -57.42 -26.74 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.007 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.13 -21.48 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.524 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ALA . 65.5 mt-30 -81.36 -21.77 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.58 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -87.65 128.83 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -70.99 -19.63 62.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.54 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 4.9 m -64.37 -42.42 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.47 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.593 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.0 49.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.991 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -32.65 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.561 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.46 -27.89 64.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -53.04 -31.56 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.18 -63.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.719 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.72 -36.82 83.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.29 -51.77 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.646 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -60.88 -25.02 66.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' GLY . 90.4 m-20 -82.52 24.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' ' CE ' ' A' ' 30' ' ' LYS . . . -29.28 -49.94 0.12 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.77 2.63 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.759 0.314 . . . . 0.0 110.477 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.29 -175.6 44.89 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.687 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.56 143.78 20.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 p -95.37 152.51 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.54 -73.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.5 OUTLIER 172.49 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.14 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.679 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 7.6 mp0 -61.87 -28.48 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 78.5 mt-10 -63.18 -23.41 67.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.64 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.12 -27.6 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.766 0.317 . . . . 0.0 111.072 -179.016 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.589 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 22.6 m -51.49 -59.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.714 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.589 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.2 p -51.97 -36.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.784 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.95 -39.99 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.571 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' A' ' 82' ' ' THR . 96.9 t -63.53 -33.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.881 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.71 -47.61 81.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -44.98 57.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.115 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.18 -31.63 58.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 15.1 m -56.89 -61.17 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.89 -42.04 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.785 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.83 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.09 -39.42 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -42.59 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 1.8 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 72.6 mm-40 -72.39 -25.15 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.532 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 1.8 mm? -74.44 -42.0 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.95 -36.29 78.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.325 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.2 m -60.23 -44.09 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.95 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.13 -46.01 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.68 -36.13 75.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 3' ' ' GLU . 15.6 m -57.06 -46.3 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.23 -38.35 68.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.33 -32.16 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.67 -57.13 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.9 -39.87 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -64.26 -47.42 79.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.569 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 5.7 t-80 -63.17 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.12 -37.03 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -67.27 -98.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -119.98 133.04 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.88 -45.19 3.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 tttt . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.954 0.407 . . . . 0.0 110.624 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.708 0.289 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.92 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.389 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 16.8 pttp -50.56 -46.16 57.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.577 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 50.1 mtpt -58.39 -50.24 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.67 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.25 -37.77 48.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.41 ' C ' ' CD2' ' B' ' 33' ' ' LEU . 1.0 OUTLIER -75.18 -56.76 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.67 -38.01 71.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.201 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' B' ' 39' ' ' THR . 71.3 mm-40 -72.02 -33.57 68.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.412 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -50.79 -58.4 6.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.527 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -50.16 28.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.864 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 90.2 mt-30 -48.36 -49.56 34.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.983 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.523 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 22.2 p -62.31 -29.93 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.852 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -82.16 -52.27 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 179.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.87 28.23 7.76 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -49.1 -50.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.311 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.49 -39.0 31.48 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.053 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.42 -16.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.272 -179.304 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.534 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 9.5 t0 -57.5 -26.75 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.43 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' B' ' 51' ' ' ALA . 65.6 mt-30 -81.49 -21.7 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.56 -34.06 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -87.71 128.83 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -71.02 -19.61 62.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -26.58 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 4.9 m -64.4 -42.37 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.469 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.46 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.01 49.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.962 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.27 -32.74 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.54 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mmt -58.45 -27.91 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -53.13 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.793 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.23 -63.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.713 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.71 -36.79 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.31 -51.72 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.89 -25.11 66.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . 90.3 m-20 -82.47 24.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.531 ' O ' ' CE ' ' B' ' 30' ' ' LYS . . . -29.4 -49.85 0.12 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.72 2.56 18.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.22 -175.65 44.99 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.55 143.86 20.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.42 152.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.46 -73.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.5 OUTLIER 172.44 -61.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.687 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 7.6 mp0 -61.83 -28.57 69.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -63.1 -23.48 67.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.644 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.539 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.11 -27.58 69.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.689 0.28 . . . . 0.0 110.994 -178.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.583 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 22.6 m -51.56 -59.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.689 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.583 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.2 p -51.96 -36.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.773 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 tp -51.9 -40.08 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.549 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' B' ' 82' ' ' THR . 97.1 t -63.43 -33.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.912 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.66 -47.69 81.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.03 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.196 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.21 -31.63 58.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.895 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 15.3 m -56.94 -61.11 2.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.779 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.88 -42.08 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.31 -41.79 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.492 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.15 -39.45 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -42.66 83.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.702 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.468 ' OG ' ' OE2' ' A' ' 5' ' ' GLU . 70.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.872 0.368 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.1 -26.57 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 1.5 mm? -74.5 -47.99 29.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.261 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.468 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.58 -33.46 32.77 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -66.23 -43.77 85.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.826 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.3 -36.52 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.264 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.98 -42.35 62.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.425 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.39 -38.23 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.91 -44.88 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.06 -36.76 69.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.38 -33.38 33.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.779 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -71.26 -57.27 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.3 -36.68 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.547 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.04 -41.79 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -59.01 -36.6 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.09 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.33 -100.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.2 m -120.14 135.76 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.99 -45.08 0.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.501 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.461 0.114 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t -70.85 167.08 19.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 4.4 pttm -50.38 -47.54 56.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 60.7 mttm -56.05 -50.39 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.179 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 29' ' ' SER . 34.7 mt-10 -48.56 -56.08 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.686 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.76 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.236 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 60.9 tttm -50.0 -48.04 52.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' A' ' 39' ' ' THR . 69.0 mm-40 -67.9 -32.17 72.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.203 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.7 tt -49.24 -57.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.436 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -72.5 -52.53 15.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.021 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 26.5 mt-30 -48.58 -45.31 37.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.696 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.52 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 35.6 p -64.57 -29.21 70.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.43 -51.37 8.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.876 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.77 27.94 9.07 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.143 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.45 21.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.622 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.21 -36.23 35.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 46' ' ' ASP . 21.1 t80 -73.12 -56.99 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -50.21 -12.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.388 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 44' ' ' PHE . 3.4 t70 -56.69 -29.38 62.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.89 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.24 -34.11 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.3 mt-30 -75.03 -29.32 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.99 -35.41 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.09 -29.63 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.95 131.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.84 -19.84 62.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -31.9 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 11.4 m -56.0 -44.07 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 25.3 t0 -66.55 -29.35 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.651 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.63 -47.89 49.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.46 -32.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.811 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.32 -27.87 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.14 -30.89 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.52 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.67 -38.4 80.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.678 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 65' ' ' GLY . 27.3 t70 -60.11 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -40.0 -61.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.805 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.6 m-20 -87.4 24.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -42.4 -50.16 5.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.97 62.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.98 -166.46 40.77 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.65 167.13 20.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.051 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 70' ' ' ASP . 7.3 p -121.73 143.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 69' ' ' VAL . 32.1 t70 -43.66 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.671 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -167.17 -70.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.376 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.671 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.88 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.784 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -48.73 -23.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.743 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -72.97 -26.15 61.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.553 ' N ' ' CD1' ' A' ' 74' ' ' TYR . 28.1 m -49.69 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.288 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.533 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 p -57.69 -38.34 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.609 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.21 -33.0 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.19 -35.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -53.14 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.978 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.66 -30.05 12.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.04 -45.88 25.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.31 -47.09 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.308 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.7 p -54.25 -38.9 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.679 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.68 -31.89 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.45 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.48 -48.91 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.88 -44.09 77.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 1.4 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.478 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 70.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.827 0.346 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.09 -26.51 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.568 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.5 mm? -74.54 -47.92 29.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.275 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.478 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.67 -33.44 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -66.29 -43.62 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.874 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.54 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.224 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.93 -42.52 62.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.25 -38.26 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -53.99 -44.79 71.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.649 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -72.07 -36.81 69.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.36 -33.4 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -71.2 -57.3 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.37 -36.52 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.598 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -72.18 -41.72 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.497 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -59.06 -36.62 75.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.16 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.29 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -120.11 135.73 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.93 -45.09 0.65 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 tttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.736 0.303 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.1 t -70.93 167.04 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.467 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 4.4 pttm -50.29 -47.53 55.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.981 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 60.6 mttm -56.15 -50.28 71.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.2 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.59 -56.1 9.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.676 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' B' ' 33' ' ' LEU . 2.2 tt -67.73 -56.45 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.248 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.483 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 60.9 tttm -49.93 -48.04 52.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.047 0.451 . . . . 0.0 110.669 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' B' ' 39' ' ' THR . 69.0 mm-40 -67.85 -32.22 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.491 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.2 -57.68 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.451 -178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -52.47 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.045 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 26.5 mt-30 -48.6 -45.43 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.52 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 35.6 p -64.55 -29.12 70.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -81.55 -51.3 8.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.832 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.77 27.88 9.13 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.197 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.5 21.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.533 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.31 -36.09 35.66 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.483 ' C ' ' H ' ' B' ' 46' ' ' ASP . 20.9 t80 -73.21 -56.89 4.49 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -50.21 -12.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.304 -178.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' B' ' 44' ' ' PHE . 3.4 t70 -56.73 -29.32 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.879 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.26 -34.0 43.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' B' ' 51' ' ' ALA . 98.3 mt-30 -75.13 -29.25 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.94 -35.48 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -29.68 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.463 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -89.09 131.07 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.573 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.8 -19.86 62.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.97 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.744 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 11.3 m -56.03 -44.04 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.504 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 25.0 t0 -66.5 -29.46 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.661 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.65 -47.8 49.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -32.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.795 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.29 -27.86 49.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.17 -30.87 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.49 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.73 -38.36 80.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.08 -63.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.026 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -39.96 -61.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.788 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.7 m-20 -87.41 24.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.42 -50.19 5.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.99 62.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.36 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.01 -166.47 40.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.63 167.01 20.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.442 -0.379 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' B' ' 70' ' ' ASP . 7.3 p -121.64 143.63 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 69' ' ' VAL . 32.1 t70 -43.7 -97.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -167.12 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.302 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.93 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -48.63 -23.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -72.98 -25.93 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.555 ' N ' ' CD1' ' B' ' 74' ' ' TYR . 28.3 m -49.91 -57.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.124 -0.631 . . . . 0.0 111.281 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.532 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.1 p -57.72 -38.25 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.619 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.24 -32.97 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.28 -35.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -53.03 32.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.02 12.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.99 0.424 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.03 -45.93 25.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -69.37 -47.0 65.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.329 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 4.7 p -54.17 -38.98 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -66.72 -31.88 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.421 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.0 t -73.56 -48.89 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.9 -44.02 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.668 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 1.4 m-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.27 -23.63 62.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.6 mm? -72.94 -51.3 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.131 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -32.02 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -65.19 -46.09 82.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.14 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.07 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.813 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.32 -37.63 68.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -54.24 -49.76 68.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.884 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.48 -32.0 72.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.509 ' CD1' ' HG1' ' B' ' 82' ' ' THR . 78.0 mt -74.39 -49.16 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.5 -57.17 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.85 -37.14 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 64.5 t80 -72.28 -55.39 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -48.82 -28.07 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.626 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.11 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -75.12 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.667 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.44 114.87 22.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.702 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -3.31 21.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.314 . . . . 0.0 110.448 -179.733 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.732 0.301 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 163.77 23.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.328 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 17.1 pttp -50.65 -45.05 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 22.1 mtpp -59.08 -50.09 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.29 -47.72 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.628 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.01 -56.05 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -49.98 -41.59 47.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.204 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 39' ' ' THR . 77.0 mm-40 -72.45 -32.79 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.306 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -49.81 -57.33 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.66 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -55.81 10.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.845 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.5 mt-30 -48.24 -48.65 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.4 p -60.58 -29.99 69.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.57 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -82.34 -52.46 6.9 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.257 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.33 27.98 8.79 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.958 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -48.07 -47.32 34.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.687 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.25 -35.07 38.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 46' ' ' ASP . 21.9 t80 -74.09 -56.78 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -50.04 -12.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.311 -178.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 44' ' ' PHE . 13.4 t0 -57.82 -29.26 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.831 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.7 -27.25 34.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.527 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ALA . 28.1 mt-30 -72.18 -22.0 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -43.98 -26.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 67.7 t0 -64.7 -35.43 81.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.642 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.11 123.47 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -69.98 -19.75 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.76 -27.66 12.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 16.1 m -53.26 -43.02 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 3.3 t70 -72.24 -29.73 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.26 -47.36 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.05 -38.51 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.4 mmt -51.0 -27.96 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.524 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -55.69 -32.03 62.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.46 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 -37.39 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -53.33 -50.56 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.34 -31.09 20.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . 63.2 m-20 -83.0 24.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.0 -46.45 0.07 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -110.73 -8.53 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -175.01 44.82 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.879 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.81 -175.0 3.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.433 -0.383 . . . . 0.0 110.225 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 70' ' ' ASP . 9.1 p -138.78 137.82 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.376 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' VAL . 51.3 t0 -35.43 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -176.73 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.134 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.565 ' OE1' ' CD2' ' A' ' 71' ' ' PHE . 2.7 mp0 -50.78 -34.86 29.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.208 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.18 -26.07 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.501 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.578 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 29.4 m -57.81 -60.22 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.49 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.578 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.4 p -53.46 -38.75 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 110.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.59 -38.27 53.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.27 -32.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.214 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.08 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.095 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.38 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.547 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.0 -42.08 40.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.2 t -72.08 -47.67 49.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.251 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.564 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.6 p -53.14 -37.54 27.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.79 -39.84 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.295 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.5 t -73.64 -41.57 62.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -55.95 -36.68 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 3.2 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.44 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.354 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.42 -23.57 61.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -72.95 -51.4 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -32.08 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -65.25 -45.93 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.22 -33.13 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.16 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.789 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.21 -37.73 69.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -54.09 -49.94 67.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.4 -31.99 72.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.511 ' CD1' ' HG1' ' A' ' 82' ' ' THR . 77.5 mt -74.4 -49.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.46 -57.14 12.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.97 -37.13 20.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 64.4 t80 -72.25 -55.38 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -48.84 -28.07 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.16 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -74.98 -100.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.761 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.47 114.95 22.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.28 -3.21 21.24 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 110.402 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.726 0.298 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -69.08 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.32 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 17.1 pttp -50.62 -45.08 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 22.2 mtpp -59.1 -50.05 75.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -48.27 -47.69 36.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -56.1 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -49.93 -41.57 46.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' B' ' 39' ' ' THR . 77.1 mm-40 -72.47 -32.79 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.337 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.519 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.85 -57.3 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.652 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -55.83 10.2 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.86 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.5 mt-30 -48.3 -48.64 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.7 p -60.55 -29.99 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.685 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -82.29 -52.41 6.96 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.364 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.4 28.03 8.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.988 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.617 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -48.05 -47.32 33.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.06 38.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.6 t80 -74.07 -56.93 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.2 OUTLIER -49.9 -12.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 44' ' ' PHE . 13.5 t0 -57.73 -29.3 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.851 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -27.35 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 51' ' ' ALA . 28.1 mt-30 -72.07 -22.08 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -44.07 -26.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 67.8 t0 -64.82 -35.39 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -88.12 123.39 32.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.83 -19.79 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.62 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 15.9 m -53.19 -43.11 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.425 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 3.3 t70 -72.17 -29.68 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.29 -47.35 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -38.41 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.537 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -51.14 -27.86 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -55.75 -31.97 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.45 -63.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.685 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -66.03 -37.33 85.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -53.27 -50.6 64.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.34 -30.98 20.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.487 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' B' ' 67' ' ' GLY . 63.1 m-20 -83.1 24.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.497 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.01 -46.36 0.07 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -110.83 -8.52 14.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.41 -175.03 44.81 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.228 -0.51 . . . . 0.0 111.909 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.8 -175.04 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.416 -0.392 . . . . 0.0 110.219 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' B' ' 70' ' ' ASP . 9.1 p -138.76 137.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 69' ' ' VAL . 51.4 t0 -35.34 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -176.6 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.132 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 71' ' ' PHE . 2.7 mp0 -50.71 -35.01 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.263 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.15 -22.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.724 0.297 . . . . 0.0 111.274 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -64.05 -26.17 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.548 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.589 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 29.1 m -57.82 -60.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.374 -0.531 . . . . 0.0 111.518 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.589 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.4 p -53.59 -38.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.574 0.226 . . . . 0.0 110.928 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.54 -38.27 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -32.85 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.155 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.9 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.098 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.44 72.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.01 -42.02 40.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.2 t -72.04 -47.8 49.05 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.181 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.56 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 8.5 p -53.08 -37.57 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.94 -39.74 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.253 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.6 t -73.6 -41.49 62.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -56.03 -36.6 68.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 3.2 m120 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.457 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.884 0.374 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' B' ' 10' ' ' THR . 78.5 mm-40 -67.46 -25.65 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 1.6 mm? -74.36 -50.67 17.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.168 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -37.58 55.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.47 68.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.626 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.75 -40.76 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -71.78 -40.47 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' B' ' 3' ' ' GLU . 18.0 m -54.38 -53.06 59.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.46 -39.13 93.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.55 -37.19 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.657 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.68 -53.77 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.68 -36.69 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.18 -57.14 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.646 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.92 -29.84 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -74.87 -100.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -120.4 115.08 22.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -1.67 22.06 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.274 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.75 159.49 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -50.45 -35.58 29.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.658 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 62.3 mttp -51.7 -40.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.37 -48.64 19.21 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -56.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.84 -43.23 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.475 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 31' ' ' LYS . 68.7 mm-40 -72.15 -31.99 66.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.2 tt -48.93 -57.24 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -55.35 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.321 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.62 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.2 mt-30 -48.43 -48.83 37.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 43.1 p -61.47 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.612 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.11 -52.23 7.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.24 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.89 28.36 8.53 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.781 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.62 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.46 -51.36 15.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.47 -32.87 49.84 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.746 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.6 t80 -72.69 -60.59 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.461 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.43 -16.23 0.54 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.123 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.6 t70 -56.53 -30.29 62.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.065 0.459 . . . . 0.0 109.787 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.96 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.295 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 51' ' ' ALA . 89.5 mt-30 -83.96 -23.29 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.0 -29.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.37 -28.47 69.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.413 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.05 131.58 37.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -71.23 -19.57 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.55 -32.24 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.489 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 15.9 m -53.59 -47.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.489 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 13.8 t0 -66.36 -29.19 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.746 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.44 -45.55 46.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -32.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.436 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.68 62.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.397 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -56.4 -30.86 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.264 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.9 -63.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.4 pp -65.69 -38.15 88.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.498 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.2 t70 -58.49 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 81.8 tt0 -39.96 -61.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.509 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 67' ' ' GLY . 84.2 m-20 -101.5 24.61 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.217 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -59.83 -22.34 62.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.788 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -90.65 -170.75 43.48 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.43 134.72 36.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.419 -0.391 . . . . 0.0 110.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 70' ' ' ASP . 13.7 p -105.16 157.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 20.6 t0 -47.83 -103.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.529 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 28.4 t80 -163.59 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 72' ' ' GLN . 11.9 mp0 -50.9 -40.96 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -47.98 -22.6 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.161 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.72 -26.01 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' TYR . 28.6 m -50.29 -60.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.586 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.6 p -55.12 -37.25 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.772 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.76 -37.61 52.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.16 -32.55 54.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.85 94.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.105 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.73 -44.51 58.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.108 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.49 -31.71 57.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.184 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -55.41 -62.15 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 5.2 p -55.2 -39.51 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.57 -36.91 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -72.41 -41.03 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.71 -45.28 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.867 0.365 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 78.5 mm-40 -67.5 -25.66 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.547 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.6 mm? -74.34 -50.53 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.269 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -37.55 56.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.1 -42.46 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.32 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.682 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.89 -40.68 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.81 -40.52 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 3' ' ' GLU . 18.1 m -54.31 -53.08 58.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -39.04 93.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.59 -37.22 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.685 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -58.59 -53.86 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.68 -36.56 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.718 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.34 -57.07 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.07 91.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -75.06 -100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -120.47 115.14 22.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.15 -1.72 22.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.31 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.68 159.47 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -50.4 -35.65 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' B' ' 35' ' ' GLU . 62.3 mttp -51.65 -40.31 59.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.277 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.32 -48.74 19.0 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.436 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -56.59 12.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.993 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.83 -43.26 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.431 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 31' ' ' LYS . 68.6 mm-40 -72.14 -31.98 66.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.513 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -48.97 -57.15 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.108 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -55.37 10.34 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.3 mt-30 -48.47 -48.81 37.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.497 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 43.4 p -61.48 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.647 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.08 -52.27 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.234 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.8 28.3 8.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.779 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.627 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.52 -51.22 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -32.91 49.69 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.792 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.1 t80 -72.84 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.442 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -51.27 -16.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.24 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.535 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 2.6 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 109.799 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.47 -21.81 38.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.311 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' B' ' 51' ' ' ALA . 89.3 mt-30 -84.08 -23.28 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.662 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -43.95 -29.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.36 -28.45 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.426 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -93.09 131.66 37.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.624 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.3 -19.48 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.67 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.22 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 16.1 m -53.6 -47.37 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 13.7 t0 -66.3 -29.18 69.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.51 -45.39 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -32.9 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.38 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.78 62.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.31 -30.93 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.91 -63.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 65' ' ' GLY . 2.4 pp -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.49 -50.11 74.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -39.91 -61.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' B' ' 67' ' ' GLY . 84.1 m-20 -101.33 24.59 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.591 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.0 p30 -59.92 -22.36 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.329 . . . . 0.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.591 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -90.59 -170.72 43.54 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.706 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.4 134.8 36.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.438 -0.381 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' B' ' 70' ' ' ASP . 13.6 p -105.28 157.56 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.608 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 20.5 t0 -47.75 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.498 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 28.2 t80 -163.52 -58.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.465 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 11.8 mp0 -50.87 -40.95 57.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.01 -22.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.696 0.284 . . . . 0.0 111.228 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -67.83 -25.98 65.83 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' B' ' 74' ' ' TYR . 28.9 m -50.3 -60.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.897 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.587 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.6 p -55.23 -37.17 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.738 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.68 -37.69 51.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.07 -32.62 54.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.588 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.92 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -44.56 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.117 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.44 -31.77 58.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -55.48 -62.02 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 5.2 p -55.26 -39.49 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.61 -36.94 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.4 -40.98 66.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -60.72 -45.26 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.462 ' O ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 1' ' ' GLY . 80.8 p 55.67 28.01 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.462 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -72.45 -26.06 61.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.3 mm? -74.27 -48.34 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.487 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -31.9 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.49 -44.81 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.145 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.88 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.42 -37.15 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m -54.06 -47.83 71.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -69.45 -36.69 76.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.1 -40.97 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.83 -56.82 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.85 -43.07 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.74 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 31.4 t80 -71.84 -41.77 67.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.54 70.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -67.76 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.4 p -120.13 147.52 44.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.19 -45.09 0.82 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' GLU . 43.4 tttm -102.69 31.92 3.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.388 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.1 pt-20 -33.98 106.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.737 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.67 -26.56 7.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' LYS . 28.7 t70 -110.24 135.72 50.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 110.186 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' ASP . 95.8 mttt -36.64 148.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.6 p90 -48.19 111.29 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -144.82 129.7 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.282 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 120.77 22.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -72.09 167.95 19.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 43.2 pttt -50.41 -45.77 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 96.6 mttt -56.98 -49.91 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.54 -56.87 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.701 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.77 -50.97 71.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HE2' HE22 ' A' ' 38' ' ' GLN . 82.3 tttt -56.82 -49.39 75.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.643 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 39' ' ' THR . 79.9 mm-40 -67.51 -32.4 73.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.8 tt -49.66 -57.56 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.485 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -72.32 -50.97 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.845 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 99.3 mt-30 -48.3 -43.92 33.41 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.305 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.514 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 29.2 p -65.2 -29.36 70.17 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.514 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.69 -50.52 9.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.16 28.11 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.249 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -52.17 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 -31.66 52.58 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.816 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 46' ' ' ASP . 30.1 t80 -74.04 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.625 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.32 -15.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.482 -179.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 11.8 t0 -57.53 -29.28 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.839 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.4 40.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 51' ' ' ALA . 96.0 mt-30 -78.24 -22.61 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.92 -29.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.81 -31.38 72.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -90.52 129.26 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.626 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.95 -19.53 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.18 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.736 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 16.5 m -53.85 -46.26 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 12.2 t0 -68.6 -29.34 67.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.73 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.76 -46.74 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -32.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.64 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.92 -27.74 53.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -52.9 -31.09 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.75 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.17 -39.15 86.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -51.97 -41.15 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 -26.89 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 65' ' ' GLY . 92.5 m-20 -85.43 24.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -28.22 -50.34 0.09 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.65 -11.74 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.54 -175.16 44.61 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.83 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -135.62 -174.99 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.208 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . 6.0 p -137.76 139.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' VAL . 12.8 t70 -35.13 -88.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -177.62 -74.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 12.9 mp0 -51.25 -32.56 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.776 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.42 -22.76 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.606 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -68.25 -27.01 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.585 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 33.0 m -50.59 -59.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.145 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.585 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.8 p -52.64 -38.79 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.818 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.6 -33.41 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.19 -38.19 73.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.32 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' O ' ' OG1' ' A' ' 82' ' ' THR . . . -64.89 -43.69 92.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.78 -34.8 28.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.916 0.388 . . . . 0.0 110.183 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.44 -33.52 58.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.367 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 79' ' ' ALA . 69.2 p -67.14 -56.58 9.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 6.1 p -49.01 -38.92 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.456 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -46.18 83.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.576 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 57.3 t30 -57.32 -36.9 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 97.4 m-20 -59.32 -34.91 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.91 -48.25 80.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -67.79 -50.08 58.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.576 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 9.8 m95 -95.55 117.47 30.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -171.96 102.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -93.32 94.39 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.546 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.474 ' O ' ' OG ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 1' ' ' GLY . 81.1 p 55.55 27.98 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.531 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -72.44 -25.99 61.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.3 mm? -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.416 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.92 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.17 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.59 -44.69 77.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.131 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -32.82 67.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.38 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.94 -43.21 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.36 -37.2 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 m -53.99 -47.89 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -69.44 -36.56 76.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.18 -40.95 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.87 -56.88 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 14.7 p -51.87 -42.98 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 31.2 t80 -71.9 -41.74 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -58.05 -30.42 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.58 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -67.8 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.6 p -120.19 147.45 44.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.12 -45.15 0.82 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 22' ' ' GLU . 43.3 tttm -102.66 31.83 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.1 pt-20 -33.89 105.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.817 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.4 -26.66 7.23 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' LYS . 28.9 t70 -110.17 135.77 50.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 110.262 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' ASP . 95.8 mttt -36.62 148.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 2.6 p90 -48.15 111.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -144.87 129.71 18.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.204 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.71 120.77 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.714 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -71.95 167.93 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.237 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 43.3 pttt -50.47 -45.79 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 96.7 mttt -56.93 -49.89 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.02 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.6 -56.87 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.727 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.79 -50.9 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.736 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.402 ' HE2' HE22 ' B' ' 38' ' ' GLN . 82.3 tttt -56.84 -49.36 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 0.0 110.602 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' B' ' 39' ' ' THR . 79.9 mm-40 -67.56 -32.43 73.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.12 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.501 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.8 tt -49.69 -57.56 7.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.467 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -72.2 -51.06 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.869 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' B' ' 42' ' ' SER . 99.4 mt-30 -48.27 -43.86 33.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.408 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.515 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 28.6 p -65.27 -29.4 70.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -81.55 -50.63 9.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.908 179.414 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.19 28.16 8.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.234 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.85 -52.14 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.401 ' N ' ' HG ' ' B' ' 42' ' ' SER . . . -76.8 -31.76 52.45 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.221 -0.514 . . . . 0.0 111.819 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.8 t80 -73.97 -59.72 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.659 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.27 -15.01 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.526 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 11.8 t0 -57.62 -29.25 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.113 0.482 . . . . 0.0 109.852 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.92 -25.47 40.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' ALA . 95.8 mt-30 -78.17 -22.68 48.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.99 -29.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.72 -31.54 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -90.41 129.27 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.1 -19.5 62.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.73 -27.27 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 16.6 m -53.91 -46.22 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.463 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 12.2 t0 -68.5 -29.44 68.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -49.74 -46.7 50.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -32.91 29.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.653 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.94 -27.67 53.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -52.95 -31.03 38.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.66 -63.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.13 -39.26 86.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.92 -41.18 61.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.05 -26.91 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' B' ' 65' ' ' GLY . 92.4 m-20 -85.47 24.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -28.32 -50.24 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -110.71 -11.62 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.53 -175.06 44.63 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -135.73 -174.96 3.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.124 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' B' ' 70' ' ' ASP . 5.9 p -137.78 139.1 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 69' ' ' VAL . 12.9 t70 -35.21 -88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.815 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -177.8 -74.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 12.9 mp0 -51.3 -32.51 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.36 -22.78 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -68.27 -26.95 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.593 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 33.0 m -50.47 -60.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.364 -0.535 . . . . 0.0 111.187 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.593 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.7 p -52.67 -38.78 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.72 -33.31 33.96 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.772 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.29 -38.15 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.184 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.492 ' O ' ' OG1' ' B' ' 82' ' ' THR . . . -65.0 -43.61 91.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -34.93 28.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.956 0.407 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.27 -33.58 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 79' ' ' ALA . 69.8 p -67.14 -56.53 9.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 87' ' ' ASN . 6.1 p -49.09 -38.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.22 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.29 -44.41 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.576 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 57.3 t30 -57.26 -36.96 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.474 ' O ' ' O ' ' B' ' 90' ' ' TRP . 97.4 m-20 -59.28 -34.92 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.516 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -57.92 -48.35 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -67.7 -50.05 59.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.576 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 9.7 m95 -95.59 117.46 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -171.91 102.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -93.26 94.41 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.8 OUTLIER 79.43 20.61 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.346 . . . . 0.0 110.441 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -22.96 61.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.6 mm? -74.36 -49.62 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -32.53 40.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.338 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 m -66.8 -41.8 86.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.01 -33.73 70.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.2 -41.14 68.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.11 -40.7 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.96 -45.94 71.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.695 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.91 -34.59 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.55 -43.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -63.35 -56.21 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.87 -38.89 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.557 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 64.1 t80 -72.2 -50.64 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.6 -27.26 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.2 75.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.7 -99.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -113.54 143.69 44.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.0 -45.22 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 70.1 tttt -99.51 32.84 2.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.329 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.02 106.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.702 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.79 -29.08 12.58 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' LYS . 28.3 t0 -109.78 138.49 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' ASP . 38.2 mttm -37.46 146.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.5 p90 -40.52 105.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -140.61 126.06 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.16 125.26 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.475 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.37 166.29 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.21 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 42.5 pttt -50.64 -45.77 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.318 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 81.4 mttt -58.47 -50.13 74.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.617 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.4 37.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -75.14 -55.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.45 -42.29 66.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.491 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' A' ' 39' ' ' THR . 80.3 mm-40 -71.63 -33.16 68.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.278 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.526 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.3 tt -50.01 -57.55 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.312 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -54.93 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.631 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.7 mt-30 -48.33 -49.46 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.1 p -59.82 -29.85 68.53 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.68 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.25 -52.32 7.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.281 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.13 28.44 8.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.932 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -50.62 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.996 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.23 34.93 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.3 t80 -68.83 -60.16 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.621 0.248 . . . . 0.0 111.592 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.351 -179.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 7.4 t0 -55.2 -27.02 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 109.792 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 -25.12 30.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.443 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.44 -27.21 38.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -43.93 -31.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.408 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.75 -28.38 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.81 134.03 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 45.4 p-10 -71.18 -19.45 62.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.42 -28.41 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 21.4 m -55.38 -47.47 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 4.0 t70 -64.54 -29.17 70.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.775 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -49.42 -45.59 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -32.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.8 -30.4 67.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.544 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.78 -30.73 34.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.53 -56.99 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.0 -25.15 55.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.862 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -46.48 89.33 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.4 -28.15 18.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' GLY . 90.5 m-20 -88.81 24.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.494 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -29.12 -46.54 0.07 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.64 -13.69 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.457 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.39 -173.95 44.72 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.63 -174.9 3.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.228 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 70' ' ' ASP . 6.0 p -136.85 138.23 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.429 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 69' ' ' VAL . 13.6 t70 -34.23 -95.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -169.75 -75.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.245 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.683 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 10.6 mp0 -51.63 -31.55 25.73 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.69 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -48.09 -22.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.676 0.274 . . . . 0.0 111.452 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -66.29 -27.33 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.742 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.584 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 35.0 m -51.0 -60.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.359 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.584 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 p -53.93 -37.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.811 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.55 -38.49 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.29 -32.68 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.627 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.934 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -43.8 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.45 -32.47 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.084 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -54.64 -58.9 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.44 -37.21 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.74 64.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.568 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.85 -40.16 95.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' TRP . 85.3 m-20 -63.69 -32.77 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.79 -52.57 59.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.727 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -72.11 -50.09 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.458 ' O ' ' O ' ' A' ' 87' ' ' ASN . 7.2 m95 -109.21 150.89 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -148.65 174.66 11.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.49 HD21 ' H ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -142.46 162.07 36.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.516 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.8 OUTLIER 79.38 20.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -23.05 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -74.22 -49.74 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.29 -32.61 38.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.386 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.4 m -66.83 -41.67 87.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.81 70.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.17 -41.12 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.07 -40.69 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.7 m -53.95 -45.82 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.06 -34.61 68.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.43 -43.72 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.42 -56.22 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.017 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -51.8 -38.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.66 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 64.1 t80 -72.32 -50.6 25.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.58 -27.34 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.3 75.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.69 -99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -113.56 143.79 43.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.09 -45.23 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' B' ' 22' ' ' GLU . 70.0 tttt -99.44 32.61 2.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.4 pt-20 -33.76 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.808 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.54 -28.91 10.91 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' LYS . 28.5 t0 -109.92 138.49 46.22 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' ASP . 38.2 mttm -37.47 146.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.5 p90 -40.46 105.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -140.64 126.03 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.218 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -134.08 125.27 27.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.39 166.21 22.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.153 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 42.4 pttt -50.43 -45.89 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 81.3 mttt -58.47 -50.07 75.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.679 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -43.23 38.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -75.06 -55.32 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -53.46 -42.21 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.993 0.425 . . . . 0.0 110.529 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' B' ' 39' ' ' THR . 80.2 mm-40 -71.71 -33.0 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.346 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.525 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.2 tt -50.17 -57.51 7.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.242 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -54.91 15.02 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.639 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.6 mt-30 -48.33 -49.49 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.1 p -59.76 -29.92 68.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.703 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.22 -52.27 7.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.294 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.06 28.35 8.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.993 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.619 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.66 -50.56 13.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.77 -37.3 34.52 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.421 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.4 t80 -68.72 -60.27 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.61 0.243 . . . . 0.0 111.557 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.49 -15.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.426 -179.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.536 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 7.4 t0 -55.24 -27.06 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.04 -25.11 30.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.5 -27.12 37.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.71 -28.49 67.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.75 134.03 39.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.683 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 45.2 p-10 -71.17 -19.46 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.52 -28.34 13.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 21.5 m -55.39 -47.5 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 110.354 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 4.0 t70 -64.52 -29.31 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -49.37 -45.6 46.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -32.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.77 -30.47 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.559 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -52.76 -30.75 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.747 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -68.48 -57.06 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -75.83 -25.23 56.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.932 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -46.53 89.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.36 -28.22 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 90.6 m-20 -88.71 24.48 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -29.08 -46.51 0.07 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.65 -13.78 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.466 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.31 -173.86 44.82 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.877 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.67 -174.97 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.243 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' B' ' 70' ' ' ASP . 6.0 p -136.83 138.21 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.416 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' B' ' 69' ' ' VAL . 13.8 t70 -34.22 -95.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -169.73 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.263 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.691 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 10.6 mp0 -51.67 -31.51 26.04 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.707 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -48.13 -22.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.497 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -66.22 -27.41 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 35.2 m -51.0 -60.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.348 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.594 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.1 p -53.98 -37.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.846 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.5 -38.48 54.25 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.37 -32.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.515 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.9 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -43.83 57.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.48 -32.38 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.038 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -54.73 -58.88 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.44 -37.17 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.66 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.89 -40.11 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.702 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' B' ' 90' ' ' TRP . 85.3 m-20 -63.75 -32.72 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.74 -52.63 59.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.02 -50.18 30.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.703 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.458 ' O ' ' O ' ' B' ' 87' ' ' ASN . 7.1 m95 -109.13 150.88 27.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -148.68 174.7 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.488 ' H ' HD21 ' B' ' 92' ' ' ASN . 0.0 OUTLIER -142.45 162.09 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.561 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.5 p 83.99 21.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.379 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.98 -22.78 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.5 mm? -74.33 -48.91 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -33.2 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.204 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -63.52 -43.44 97.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.78 -34.46 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -53.96 -41.57 67.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -71.95 -39.94 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -54.05 -46.38 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.55 -35.55 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -34.83 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.41 -56.4 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.006 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.79 -39.15 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.793 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 67.7 t80 -71.24 -43.55 67.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.648 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -57.91 -33.05 68.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -72.1 -100.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.2 132.45 55.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -41.4 0.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' GLU . 28.2 tttp -87.89 9.81 20.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.62 106.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.75 -27.24 9.02 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' LYS . 87.1 m-20 -105.29 134.37 48.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.688 0.28 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' ASP . 63.6 mttm -35.63 152.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.669 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -47.0 126.66 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 42.3 tttt -159.12 140.32 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 82.1 mt -130.4 149.21 52.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -97.95 169.71 9.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.63 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 15.9 pttp -50.44 -45.13 55.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 23.6 mtpp -67.63 -49.32 63.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' LEU . 37.4 mm-40 -47.67 -56.52 7.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.959 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.69 -56.06 25.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.95 -45.09 74.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 39' ' ' THR . 79.6 mm-40 -71.29 -32.66 68.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -50.0 -57.27 7.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.314 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -55.7 10.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.702 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.0 mt-30 -48.28 -46.76 36.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 53.2 p -62.27 -30.13 70.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.55 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.31 -52.38 6.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.352 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.52 28.12 8.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -49.51 14.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.0 -38.58 30.0 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' N ' ' A' ' 46' ' ' ASP . 28.8 t80 -67.46 -60.36 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.452 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.241 -179.187 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 t70 -55.96 -30.01 61.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.982 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.79 -18.87 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.2 mt-30 -89.0 -24.19 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.77 -31.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -61.31 -27.74 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.78 130.06 39.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -68.95 -19.45 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.85 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 15.1 m -51.48 -44.71 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.179 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 5.2 t70 -65.91 -29.5 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.64 -45.16 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.56 -32.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 mmt -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.82 -30.79 35.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.3 -25.16 65.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLY . 26.3 t70 -58.93 -45.47 90.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.495 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -49.7 -27.47 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.252 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLY . 76.9 m-20 -88.54 24.45 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.452 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 30' ' ' LYS . . . -30.59 -46.45 0.12 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -111.54 -10.3 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -173.03 44.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 121.617 0.565 . . . . 0.0 112.377 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE2' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 pt-20 -131.65 -174.83 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.186 -0.507 . . . . 0.0 110.1 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 28' ' ' LEU . 14.2 p -141.15 140.46 32.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.76 0.314 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 27.8 t70 -46.19 -103.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.68 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -158.42 -72.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.402 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.68 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 11.1 mp0 -50.86 -34.61 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -48.51 -22.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.669 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.45 63.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.488 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.595 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 34.5 m -50.21 -60.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.614 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.595 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.7 p -53.83 -37.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.831 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.63 -39.42 58.04 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.16 -32.55 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.01 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.033 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.41 56.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.36 -31.95 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.7 m -56.44 -61.79 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.719 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.52 -39.02 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.702 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.18 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.71 -39.33 76.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.582 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 47.7 t30 -58.9 -40.01 83.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 90' ' ' TRP . 78.9 m-20 -62.13 -30.89 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -67.26 -44.46 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -64.88 -49.99 68.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.755 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.582 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 12.8 m95 -96.9 -179.74 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.668 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 92' ' ' ASN . 5.2 pt-20 -156.06 -105.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.478 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.401 ' H ' ' HG3' ' A' ' 91' ' ' GLU . 42.7 t30 59.75 50.61 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.517 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.5 p 83.98 21.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.382 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.93 -22.85 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.5 mm? -74.28 -48.91 25.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -33.23 56.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -63.46 -43.48 97.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.03 -41.47 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.97 -39.99 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.734 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.99 -46.37 71.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.825 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.21 -35.01 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.33 -56.28 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.84 -39.28 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 67.5 t80 -71.11 -43.52 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -57.93 -33.09 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.43 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -72.17 -100.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.615 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.23 132.53 55.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.11 -41.42 0.83 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 22' ' ' GLU . 28.2 tttp -87.88 9.76 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.4 pt-20 -34.49 106.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.817 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.48 -27.12 7.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 87.0 m-20 -105.25 134.43 48.37 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 63.7 mttm -35.76 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.688 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -46.95 126.69 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' NZ ' ' OE2' ' B' ' 68' ' ' GLU . 42.2 tttt -159.14 140.29 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 69' ' ' VAL . 81.7 mt -130.34 149.18 52.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -98.06 169.7 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' B' ' 65' ' ' GLY . 16.0 pttp -50.43 -45.19 55.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 23.7 mtpp -67.48 -49.33 64.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.303 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' B' ' 36' ' ' LEU . 37.5 mm-40 -47.69 -56.49 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.976 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.6 -56.2 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.784 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.82 -45.17 74.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 110.46 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' B' ' 39' ' ' THR . 79.6 mm-40 -71.24 -32.73 69.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.05 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.97 -57.24 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.397 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.73 10.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.73 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.9 mt-30 -48.21 -46.92 35.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 54.7 p -62.15 -30.17 70.86 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.577 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.37 -52.27 7.06 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.342 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.63 28.19 8.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.9 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.75 -49.5 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 -38.54 30.05 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' B' ' 46' ' ' ASP . 28.8 t80 -67.44 -60.36 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.507 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.62 -15.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.288 -179.239 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.3 t70 -56.1 -29.96 61.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.899 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.7 -18.94 46.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -88.93 -24.3 22.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.8 -31.72 0.89 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.424 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -61.28 -27.77 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.72 130.07 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -68.99 -19.45 64.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.83 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 15.2 m -51.52 -44.62 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.965 0.412 . . . . 0.0 110.196 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 5.2 t70 -66.01 -29.46 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.69 -45.16 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -32.97 32.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmt -59.19 -35.09 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.86 -30.85 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.2 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.755 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.42 -25.11 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 65' ' ' GLY . 26.4 t70 -58.89 -45.49 90.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.593 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -49.69 -27.43 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 77.1 m-20 -88.62 24.45 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.412 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.551 ' O ' ' CD ' ' B' ' 30' ' ' LYS . . . -30.61 -46.46 0.13 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -111.48 -10.31 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.44 -173.0 44.55 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 121.532 0.518 . . . . 0.0 112.355 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.417 ' OE2' ' NZ ' ' B' ' 27' ' ' LYS . 8.4 pt-20 -131.71 -174.74 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.057 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 70' ' ' ASP . 14.2 p -141.22 140.41 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.756 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 69' ' ' VAL . 27.8 t70 -46.16 -103.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -158.31 -72.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.464 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.682 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 11.0 mp0 -50.91 -34.57 29.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -48.53 -22.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.556 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.52 63.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.603 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 34.6 m -50.25 -60.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.536 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.603 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.7 p -53.86 -37.34 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.796 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.62 -39.45 58.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 52.0 t -65.1 -32.59 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.63 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.05 93.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.007 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.43 -43.48 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.37 -31.97 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.004 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -56.42 -61.74 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.48 -39.14 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.29 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.68 -39.26 77.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.578 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 47.7 t30 -58.96 -40.02 83.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.658 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' B' ' 90' ' ' TRP . 79.3 m-20 -62.23 -30.79 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.599 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -67.31 -44.45 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.7 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -64.87 -50.05 68.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.578 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 12.6 m95 -96.86 -179.77 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.735 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' B' ' 92' ' ' ASN . 5.3 pt-20 -156.03 -105.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.403 ' H ' ' HG3' ' B' ' 91' ' ' GLU . 42.5 t30 59.72 50.63 6.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.526 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.5 t 155.17 23.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.155 0.502 . . . . 0.0 110.053 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -69.35 -25.97 64.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.0 mm? -74.32 -47.58 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.401 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -38.09 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -61.0 -41.37 96.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.324 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.57 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.12 -43.14 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.613 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.27 -38.9 68.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.9 m -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 mt -72.34 -34.21 67.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -74.35 -35.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -67.74 -57.3 6.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 7.2 p -52.57 -40.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.703 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 62.0 t80 -69.22 -41.2 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.69 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -61.46 -27.07 68.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.76 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -70.92 -98.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.8 p -120.0 145.42 46.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.18 -45.0 1.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' GLU . 50.5 tttm -102.43 40.18 1.39 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.795 0.331 . . . . 0.0 110.517 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.0 pt-20 -33.51 106.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -31.19 14.43 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 53.9 p30 -110.19 142.59 41.52 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 24' ' ' ASP . 68.7 mttm -36.71 157.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.553 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -53.96 102.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -140.56 134.3 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.232 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -135.41 127.32 29.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -69.32 162.83 26.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 21.9 pttm -50.73 -44.2 58.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 67.6 mttm -58.66 -50.05 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.15 -55.95 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.707 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.04 -52.6 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.39 -48.74 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' A' ' 39' ' ' THR . 80.5 mm-40 -66.51 -32.57 74.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.037 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.5 tt -49.66 -57.42 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.248 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -56.09 8.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.7 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.7 mt-30 -48.33 -48.58 36.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 48.6 p -61.52 -29.83 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.722 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.14 -51.43 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.345 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.44 28.08 9.07 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.191 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -45.86 -47.55 16.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.91 0.386 . . . . 0.0 110.56 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.23 -36.66 34.22 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 46' ' ' ASP . 18.5 t80 -74.0 -55.55 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -50.26 -12.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.413 -178.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.1 t70 -56.26 -27.95 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 109.755 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.45 -32.26 26.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.448 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ALA . 29.7 mt-30 -66.55 -25.17 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -43.89 -32.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.441 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.05 -34.36 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -86.85 126.84 34.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.73 -20.01 62.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.09 -31.28 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 23.2 m -49.4 -44.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 4.9 t70 -72.05 -29.84 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.05 -45.84 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.765 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -32.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.502 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.32 -27.89 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -55.28 -35.08 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.46 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.781 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.52 -40.7 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.46 -42.04 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.7 -31.69 68.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.3 m-20 -81.83 24.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.583 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -25.99 -50.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.54 -7.78 14.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.54 -175.42 44.57 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.851 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.05 144.65 36.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.485 -0.357 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 70' ' ' ASP . 8.3 p -93.96 138.92 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.4 t70 -36.07 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -170.64 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.691 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.3 mp0 -55.83 -32.9 63.98 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.27 -22.82 0.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.411 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.45 -27.33 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.735 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.575 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 35.5 m -50.79 -60.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.198 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.575 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.0 p -55.04 -37.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.66 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.67 -38.19 53.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.52 -32.56 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.507 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -43.57 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.104 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.52 55.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.5 -31.86 57.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -54.99 -59.14 5.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.74 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.11 -39.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.07 -54.06 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.0 t -63.42 -39.09 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.23 -42.88 87.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.713 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' A' ' 90' ' ' TRP . 4.7 m120 -56.85 -33.05 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.5 -47.25 66.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -66.67 -50.11 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' A' ' 87' ' ' ASN . 11.3 m95 -102.22 116.72 33.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.639 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.16 -38.07 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' ND2' ' N ' ' A' ' 93' ' ' SER . 1.0 OUTLIER -52.57 -34.77 51.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.648 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.429 ' N ' ' ND2' ' A' ' 92' ' ' ASN . 26.8 p . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.5 t 155.09 23.75 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.128 0.489 . . . . 0.0 110.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.37 -25.94 64.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.0 mm? -74.26 -47.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.418 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -37.96 64.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -61.08 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.65 69.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mtt -53.06 -43.22 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.16 -39.02 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.7 m -53.8 -45.07 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.698 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.25 -34.18 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.8 mt -74.28 -35.61 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.006 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.74 -57.18 6.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.261 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.3 p -52.58 -40.92 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.791 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 62.1 t80 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -61.52 -27.0 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.66 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -70.85 -98.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -119.97 145.52 46.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.09 -45.11 1.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' B' ' 22' ' ' GLU . 50.4 tttm -102.36 40.15 1.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' B' ' 21' ' ' LYS . 5.0 pt-20 -33.25 106.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.927 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.12 -31.22 11.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' B' ' 24' ' ' ASP . 54.0 p30 -110.12 142.62 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 68.7 mttm -36.68 157.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -54.11 102.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -140.53 134.28 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -135.41 127.27 29.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -69.29 162.79 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.106 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.579 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 21.9 pttm -50.59 -44.31 56.88 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.489 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 67.7 mttm -58.62 -50.15 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.07 -55.94 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.08 -52.55 64.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.46 -48.73 76.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 80.5 mm-40 -66.49 -32.54 73.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.515 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.5 tt -49.74 -57.34 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.319 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -56.06 8.84 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.741 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' B' ' 42' ' ' SER . 23.7 mt-30 -48.49 -48.45 37.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 48.1 p -61.64 -29.72 70.25 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.685 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.21 -51.4 7.98 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.359 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -111.38 28.04 9.11 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.618 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -45.87 -47.58 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.474 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.14 -36.79 34.18 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' B' ' 46' ' ' ASP . 18.6 t80 -73.97 -55.53 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.2 OUTLIER -50.23 -13.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.458 -178.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 2.1 t70 -56.3 -27.84 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.36 26.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.392 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.48 -25.1 66.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.688 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -43.97 -32.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.07 -34.31 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.87 126.84 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.72 -20.01 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.24 30.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 23.3 m -49.4 -44.17 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.411 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 4.9 t70 -72.01 -29.77 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.09 -45.76 68.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.92 -32.65 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.39 -27.88 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.73 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -55.34 -35.06 64.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.36 -63.23 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.43 -40.79 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.44 -42.05 63.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.716 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' B' ' 65' ' ' GLY . 83.5 tt0 -58.69 -31.6 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.659 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.5 m-20 -81.99 24.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.615 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.579 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -26.02 -50.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.57 -7.72 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.504 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.59 -175.42 44.5 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.843 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.91 144.73 37.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.541 -0.329 . . . . 0.0 110.345 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' B' ' 70' ' ' ASP . 8.2 p -94.13 138.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 69' ' ' VAL . 21.5 t70 -36.06 -95.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.635 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.9 OUTLIER -170.67 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.69 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.3 mp0 -55.94 -32.75 64.09 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.41 -22.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -66.43 -27.42 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.583 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 35.5 m -50.6 -60.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.244 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.583 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.0 p -55.08 -37.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.676 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.58 -38.15 53.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.405 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.1 t -68.6 -32.54 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.411 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.5 79.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.17 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.61 -43.51 56.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 109.943 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.48 -31.85 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.198 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 40.9 m -55.14 -59.1 5.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.706 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.1 -39.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 -54.1 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.35 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.33 -42.86 87.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' B' ' 90' ' ' TRP . 4.7 m120 -56.91 -32.93 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.61 -47.25 67.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -66.66 -49.98 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.713 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.4 m95 -102.3 116.66 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.2 -38.07 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.542 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' B' ' 93' ' ' SER . 1.0 OUTLIER -52.49 -34.87 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.425 ' N ' ' ND2' ' B' ' 92' ' ' ASN . 27.0 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' A' ' 5' ' ' GLU . 26.5 t 53.26 28.22 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -72.36 -25.88 61.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 1.7 mm? -74.34 -48.13 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.447 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.24 -31.78 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m -68.69 -44.62 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.257 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.82 68.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.97 -43.29 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -72.27 -37.15 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.734 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.9 m -54.24 -49.32 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.43 -37.57 87.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -74.29 -37.67 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 13' ' ' ASN . 2.6 m120 -64.79 -56.96 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -51.84 -40.16 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.791 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.642 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 81.4 t80 -68.16 -46.65 70.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.347 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -57.45 -32.31 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.56 84.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.49 -99.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -120.11 127.31 52.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' GLU . 30.5 tttp -99.37 32.31 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.465 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.24 106.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -27.94 9.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 86.7 m-20 -105.54 135.92 46.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 81.4 mttt -36.09 158.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.76 129.76 17.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -170.24 124.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.536 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt -135.35 119.45 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.473 ' OG ' ' OE2' ' A' ' 32' ' ' GLU . 12.3 p -72.22 168.07 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.438 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 18.6 pttp -50.7 -45.19 58.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.703 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 26.1 mtpt -61.28 -47.29 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.04 8.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 33' ' ' LEU . 2.7 tt -63.15 -53.94 45.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -50.82 -49.31 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 80.4 mm-40 -65.77 -32.63 74.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.329 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.8 tt -49.8 -57.54 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.486 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -72.32 -53.78 11.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.073 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' SER . 96.7 mt-30 -48.19 -44.07 32.4 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.668 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.506 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 40.0 p -65.06 -29.29 70.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.52 -51.44 8.26 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -109.72 27.97 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.186 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.0 -48.73 16.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.18 -35.58 37.73 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' C ' ' H ' ' A' ' 46' ' ' ASP . 21.6 t80 -73.96 -56.31 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -50.16 -14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.335 -178.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.2 t70 -58.42 -26.86 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.869 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.77 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.73 -35.04 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.35 126.93 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 55.8 p30 -70.87 -19.8 62.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.85 -32.53 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 17.1 m -52.59 -43.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 5.3 t70 -68.75 -29.61 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -49.76 -46.88 51.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -33.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.758 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.32 -27.7 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.606 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.78 -31.08 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.9 -63.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.26 -35.89 80.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -57.22 -52.02 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.689 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 65' ' ' GLY . 77.2 tt0 -58.13 -26.1 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.444 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . 56.9 m-20 -81.37 24.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.13 -48.54 0.1 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.7 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 110.355 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.28 -175.32 44.95 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.68 -174.84 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.63 141.78 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -42.38 -90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.699 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -174.09 -57.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.463 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.698 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.6 mp0 -71.24 -29.29 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -48.08 -22.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.657 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -68.0 -27.03 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.581 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 30.8 m -50.79 -60.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.154 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.581 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 p -54.52 -38.7 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.74 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.95 -33.17 36.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.641 -0.424 . . . . 0.0 109.89 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.3 -36.51 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -50.97 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.94 -31.61 18.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.75 -45.44 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.246 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -71.91 -47.43 52.65 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.25 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' N ' ' CG2' ' A' ' 82' ' ' THR . 8.1 p -51.47 -40.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.466 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -69.43 -35.14 75.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.302 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.9 -50.52 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.44 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -55.83 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.484 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 90' ' ' TRP . 96.1 m-20 -55.97 -29.95 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.455 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.29 -45.41 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -66.94 -47.65 71.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.538 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.449 ' O ' ' O ' ' A' ' 87' ' ' ASN . 12.0 m95 -98.3 112.27 24.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.454 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -146.22 66.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -85.61 111.57 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.457 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' CD ' ' B' ' 5' ' ' GLU . 26.4 t 53.21 28.23 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 0.0 110.503 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -72.37 -25.85 61.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.551 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.7 mm? -74.33 -48.13 30.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.15 -31.91 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -68.61 -44.6 73.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.25 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.69 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.95 -43.39 63.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.505 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.21 -37.19 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -54.21 -49.39 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.751 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.39 -37.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -74.3 -37.65 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HD21 ' B' ' 13' ' ' ASN . 2.7 m120 -64.83 -56.91 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.82 -40.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.651 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 81.4 t80 -68.22 -46.65 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -57.35 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.5 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.46 -99.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -120.15 127.28 52.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' B' ' 22' ' ' GLU . 30.5 tttp -99.42 32.21 2.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.352 . . . . 0.0 110.465 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.3 pt-20 -33.95 106.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.819 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.34 -27.86 8.44 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 25' ' ' LYS . 87.0 m-20 -105.69 135.86 46.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.748 0.309 . . . . 0.0 110.189 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 24' ' ' ASP . 81.6 mttt -35.94 158.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.665 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.68 129.73 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -170.25 124.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -135.43 119.49 17.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.483 ' OG ' ' OE2' ' B' ' 32' ' ' GLU . 12.2 p -72.1 168.13 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.419 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.522 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 18.8 pttp -50.87 -45.06 59.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.522 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 26.0 mtpt -61.35 -47.28 86.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.1 8.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.672 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.03 -54.03 44.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HE3' HE22 ' B' ' 38' ' ' GLN . 16.7 tttp -50.74 -49.36 58.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.528 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' B' ' 39' ' ' THR . 80.2 mm-40 -65.76 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.273 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.483 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.8 tt -49.77 -57.53 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.532 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 40' ' ' GLU . 0.1 OUTLIER -72.37 -53.6 11.85 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.124 -178.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 96.6 mt-30 -48.33 -44.05 33.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.636 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 40.0 p -65.03 -29.3 70.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -81.55 -51.36 8.33 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.855 179.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.76 27.96 9.05 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.182 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.05 -48.66 16.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.577 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.48 37.65 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.7 t80 -74.07 -56.22 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.11 -14.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.43 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.2 t70 -58.35 -26.96 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.967 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -35.63 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.531 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.54 -26.06 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.68 -35.09 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.32 127.02 35.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 55.8 p30 -70.96 -19.76 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.77 -32.58 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 17.0 m -52.53 -43.03 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 5.3 t70 -68.89 -29.46 67.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -49.84 -46.9 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -32.99 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.784 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.5 -27.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -52.77 -31.04 36.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.694 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.02 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.27 -35.86 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.646 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -57.28 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' B' ' 65' ' ' GLY . 77.1 tt0 -58.01 -26.16 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 67' ' ' GLY . 56.6 m-20 -81.27 24.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.27 -48.45 0.1 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.65 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.372 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.38 -175.34 44.8 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.75 -174.85 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 110.241 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 141.83 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -42.38 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.704 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -174.07 -58.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.7 mp0 -71.11 -29.27 65.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.66 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -48.26 -22.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.547 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -68.05 -27.05 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.592 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 30.5 m -50.79 -59.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.286 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.592 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.2 p -54.42 -38.79 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.726 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.93 -33.21 36.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.25 -36.57 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.99 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.762 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.9 -31.61 18.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 0.0 110.401 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.83 -45.35 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.26 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -71.98 -47.41 52.3 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.224 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.2 p -51.47 -40.67 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -69.43 -35.21 75.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.79 -50.61 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.423 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.89 -37.47 68.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' B' ' 90' ' ' TRP . 96.1 m-20 -55.95 -29.98 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -55.34 -45.38 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -66.89 -47.71 70.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.9 m95 -98.23 112.24 24.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.454 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -146.22 66.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.72 111.59 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.487 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.549 ' N ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m 56.37 29.17 14.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.516 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 10' ' ' THR . 65.7 mm-40 -72.06 -27.75 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.4 mm? -74.24 -48.27 29.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -31.85 27.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -66.35 -44.16 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.01 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.79 67.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 mtp -51.81 -43.21 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.21 -38.31 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 3' ' ' GLU . 18.0 m -53.88 -45.59 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.725 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -71.03 -35.12 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.98 -39.0 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.703 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.97 -35.19 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.6 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.67 -33.86 73.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.18 89.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -75.17 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.1 t -120.24 136.65 54.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.06 -45.08 0.65 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' GLU . 73.8 tttt -98.36 40.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.318 . . . . 0.0 110.634 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.7 pt-20 -33.69 106.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.712 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.5 -30.84 13.4 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 87.9 m-20 -109.93 141.33 42.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ASP . 68.2 mttm -36.5 150.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.593 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.3 p90 -41.76 113.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 9.4 pttp -165.69 125.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -130.94 118.42 20.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.48 164.33 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.313 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 22.0 pttt -50.62 -48.09 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.993 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 53.4 mttm -57.91 -50.34 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.09 -45.36 75.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.957 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 2.5 tt -75.22 -56.36 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.714 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HE2' HE22 ' A' ' 38' ' ' GLN . 76.8 tttt -49.19 -41.37 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' OG1' ' A' ' 39' ' ' THR . 63.8 mm-40 -72.05 -31.94 66.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.6 tt -48.75 -57.34 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -72.24 -54.11 10.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.976 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.603 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.6 mt-30 -48.51 -44.61 36.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.506 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 41.9 p -63.95 -29.34 70.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -81.06 -50.47 9.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.415 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.8 8.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.017 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -46.47 -50.43 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.714 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.08 -33.33 45.62 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 26.4 t80 -74.19 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.2 -15.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.324 -178.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 10.3 t0 -55.49 -27.04 46.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.065 0.459 . . . . 0.0 109.856 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.22 -37.76 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ALA . 47.3 mt-30 -69.32 -26.46 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.78 -34.48 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 62.4 t0 -60.49 -33.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -85.99 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 54.0 p30 -70.95 -19.47 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.56 -29.35 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 13.4 m -55.55 -45.63 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 22.9 t0 -65.76 -29.38 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.38 50.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -33.03 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.739 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.8 mmt -55.78 -28.22 54.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.444 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.12 -30.8 60.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.352 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.88 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.01 -31.29 70.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.0 t70 -66.02 -53.26 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 84.8 tt0 -39.95 -61.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 67' ' ' GLY . 91.9 m-20 -93.46 24.79 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -37.87 -51.04 2.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.97 -25.82 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.592 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -91.53 -160.26 36.16 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.71 -174.9 4.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.321 -0.439 . . . . 0.0 109.958 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' ASP . 5.6 p -149.11 150.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.741 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' VAL . 40.9 t0 -42.45 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 t80 -179.44 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' OE1' ' N ' ' A' ' 72' ' ' GLN . 7.6 mp0 -50.67 -38.28 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -48.41 -22.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.596 ' N ' ' CD1' ' A' ' 74' ' ' TYR . 33.8 m -50.77 -59.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.805 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.575 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.0 p -54.26 -38.91 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.769 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.8 -32.87 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.97 -35.44 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -50.59 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.944 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.93 -31.2 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.413 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.86 -48.56 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.0 OUTLIER -69.64 -46.88 65.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.281 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.546 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 6.1 p -52.87 -40.36 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.601 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.443 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -63.82 -34.0 76.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -74.02 -40.87 62.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.565 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -39.38 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 70.8 m-80 -61.48 -28.17 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.36 -49.7 75.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.665 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -80.98 -37.94 28.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.669 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -132.59 89.71 2.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 11.0 pt-20 -62.51 -13.37 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' GLU . 64.9 m-20 38.46 -129.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.545 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.545 ' N ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m 56.44 29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.534 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 10' ' ' THR . 65.5 mm-40 -72.05 -27.69 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.922 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.4 mm? -74.27 -48.31 29.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -31.91 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -66.21 -44.21 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -32.67 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.271 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 19.0 mtp -51.9 -43.25 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.22 -38.2 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 3' ' ' GLU . 18.0 m -53.9 -45.66 71.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.9 -35.11 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -74.06 -38.89 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.07 -35.14 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.7 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.642 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.57 -33.89 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.692 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.27 89.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -75.1 -100.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.643 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.2 t -120.25 136.69 54.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -45.12 0.65 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 22' ' ' GLU . 73.8 tttt -98.34 40.19 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.747 0.308 . . . . 0.0 110.68 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' B' ' 21' ' ' LYS . 5.7 pt-20 -33.53 105.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.773 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.33 -30.66 11.97 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 87.7 m-20 -109.95 141.24 42.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 68.1 mttm -36.56 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.628 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.3 p90 -41.74 113.65 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' B' ' 27' ' ' LYS . 9.4 pttp -165.67 125.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -130.88 118.35 20.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.44 164.3 11.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.559 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 22.1 pttt -50.56 -48.14 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.559 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 53.5 mttm -57.84 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.07 -45.31 75.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' B' ' 33' ' ' LEU . 2.5 tt -75.31 -56.26 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HE2' HE22 ' B' ' 38' ' ' GLN . 77.0 tttt -49.2 -41.32 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.444 . . . . 0.0 110.315 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.5 ' O ' ' OG1' ' B' ' 39' ' ' THR . 63.8 mm-40 -72.15 -31.86 66.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.774 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.5 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.0 -57.22 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.369 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 40' ' ' GLU . 0.1 OUTLIER -72.21 -54.19 10.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.89 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.6 mt-30 -48.48 -44.63 35.96 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.426 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.513 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 42.0 p -63.93 -29.35 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -81.0 -50.48 9.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.458 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.98 27.77 8.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.932 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.596 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -46.56 -50.39 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.05 -33.32 45.75 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.432 ' C ' ' N ' ' B' ' 46' ' ' ASP . 26.8 t80 -74.22 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.14 -15.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.382 -178.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.526 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 10.4 t0 -55.51 -27.03 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 109.877 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.19 -37.89 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' B' ' 51' ' ' ALA . 47.5 mt-30 -69.18 -26.48 64.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.747 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -43.77 -34.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.4 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 62.3 t0 -60.57 -33.5 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.486 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -85.97 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 54.0 p30 -70.93 -19.44 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.584 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.66 -29.36 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 13.3 m -55.59 -45.6 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.419 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 22.9 t0 -65.73 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.643 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.31 50.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -33.02 32.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.733 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.7 -28.18 54.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.357 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -55.18 -30.87 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.34 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.94 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.05 -31.33 70.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 24.0 t70 -65.97 -53.28 40.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 84.8 tt0 -39.86 -61.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . 91.9 m-20 -93.51 24.77 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.229 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.93 -51.05 2.07 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.91 -25.85 65.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.614 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.52 -160.15 36.07 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.75 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.403 -0.398 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.7 p -149.12 150.98 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 40.8 t0 -42.54 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.368 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 22.1 t80 -179.51 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 7.6 mp0 -50.73 -38.22 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.637 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -48.45 -22.71 0.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -68.36 -26.31 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.61 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.598 ' N ' ' CD1' ' B' ' 74' ' ' TYR . 33.7 m -50.46 -59.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.873 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.584 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.0 p -54.34 -38.86 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.675 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -51.87 -32.84 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.94 -35.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.266 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.57 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.2 16.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.396 . . . . 0.0 110.488 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.91 -48.51 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.0 OUTLIER -69.69 -46.82 65.16 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.291 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.547 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 6.0 p -52.91 -40.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.441 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -63.91 -34.03 77.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.98 -40.83 62.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -39.39 87.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 70.9 m-80 -61.37 -28.26 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.721 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -57.28 -49.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -81.02 -38.01 28.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.564 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -132.58 89.77 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 92' ' ' ASN . 11.0 pt-20 -62.45 -13.48 30.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 91' ' ' GLU . 65.1 m-20 38.43 -129.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.497 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.611 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.8 p 82.74 27.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.408 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.511 ' O ' ' CG2' ' B' ' 10' ' ' THR . 72.5 mm-40 -72.29 -25.12 61.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.791 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 1.8 mm? -74.52 -42.01 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -36.37 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.287 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 m -60.07 -44.19 94.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.93 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 mtt -55.17 -46.0 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -69.7 -36.05 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' B' ' 3' ' ' GLU . 15.6 m -57.1 -46.37 82.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.18 -38.31 69.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.44 -32.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -64.71 -57.22 9.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.81 -39.91 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 83.1 t80 -64.23 -47.43 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 5.6 t-80 -63.16 -31.2 72.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.94 73.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -67.31 -97.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -120.02 133.0 55.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.468 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.84 -45.16 3.19 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 22' ' ' GLU . 74.4 tttt -103.53 39.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.576 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.0 pt-20 -34.81 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.707 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -28.5 10.45 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' LYS . 53.1 m-20 -110.07 140.6 43.95 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 24' ' ' ASP . 57.1 mttp -36.85 153.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.557 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -52.37 103.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -146.91 137.63 23.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.143 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -133.31 128.04 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.665 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.84 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.396 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 16.8 pttp -50.59 -46.11 57.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.505 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.1 mtpt -58.36 -50.24 74.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.635 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -51.3 -37.76 49.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -75.19 -56.6 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.477 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.76 -37.96 71.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.243 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' OG1' ' A' ' 39' ' ' THR . 71.2 mm-40 -72.0 -33.58 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.1 tt -50.79 -58.46 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.466 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -50.1 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.83 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 90.2 mt-30 -48.48 -49.48 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.914 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.527 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 22.0 p -62.48 -29.84 70.82 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.742 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.527 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -82.29 -52.23 7.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.93 28.31 7.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.743 0.306 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -48.95 -50.12 37.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.344 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 -38.99 31.12 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.026 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 46' ' ' ASP . 27.3 t80 -67.3 -60.1 2.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.37 -16.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.325 -179.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 9.5 t0 -57.42 -26.74 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.007 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.13 -21.48 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.524 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ALA . 65.5 mt-30 -81.36 -21.77 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.58 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -87.65 128.83 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -70.99 -19.63 62.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.54 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 4.9 m -64.37 -42.42 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.47 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.593 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.0 49.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.991 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -32.65 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.561 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.46 -27.89 64.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -53.04 -31.56 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.18 -63.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.719 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.72 -36.82 83.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.29 -51.77 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.646 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -60.88 -25.02 66.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' GLY . 90.4 m-20 -82.52 24.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' ' CE ' ' A' ' 30' ' ' LYS . . . -29.28 -49.94 0.12 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.77 2.63 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.759 0.314 . . . . 0.0 110.477 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.29 -175.6 44.89 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.687 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.56 143.78 20.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 p -95.37 152.51 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.54 -73.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.5 OUTLIER 172.49 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.14 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.679 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 7.6 mp0 -61.87 -28.48 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 78.5 mt-10 -63.18 -23.41 67.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.64 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.12 -27.6 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.766 0.317 . . . . 0.0 111.072 -179.016 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.589 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 22.6 m -51.49 -59.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.714 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.589 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.2 p -51.97 -36.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.784 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.95 -39.99 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.571 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' A' ' 82' ' ' THR . 96.9 t -63.53 -33.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.881 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.71 -47.61 81.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -44.98 57.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.115 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.18 -31.63 58.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 15.1 m -56.89 -61.17 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.89 -42.04 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.785 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.83 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.09 -39.42 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -42.59 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.83 -34.49 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.29 -45.92 82.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -117.4 112.59 20.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.45 20.49 12.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.414 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -48.77 -35.35 14.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.66 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.543 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.8 p 82.74 27.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 72.6 mm-40 -72.39 -25.15 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.532 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 1.8 mm? -74.44 -42.0 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.95 -36.29 78.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.325 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.2 m -60.23 -44.09 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.95 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.13 -46.01 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.68 -36.13 75.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 3' ' ' GLU . 15.6 m -57.06 -46.3 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.23 -38.35 68.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.33 -32.16 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.67 -57.13 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.9 -39.87 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -64.26 -47.42 79.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.569 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 5.7 t-80 -63.17 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.12 -37.03 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -67.27 -98.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -119.98 133.04 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.88 -45.19 3.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' B' ' 22' ' ' GLU . 74.4 tttt -103.49 38.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.954 0.407 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 21' ' ' LYS . 6.1 pt-20 -34.65 106.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.754 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.28 -28.39 8.82 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 53.1 m-20 -110.16 140.58 44.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 0.0 110.178 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 56.9 mttp -36.88 153.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.547 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -52.23 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -146.93 137.64 23.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.186 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.26 128.05 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.682 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.92 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.389 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 16.8 pttp -50.56 -46.16 57.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.577 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 50.1 mtpt -58.39 -50.24 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.67 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.25 -37.77 48.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.41 ' C ' ' CD2' ' B' ' 33' ' ' LEU . 1.0 OUTLIER -75.18 -56.76 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.67 -38.01 71.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.201 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' B' ' 39' ' ' THR . 71.3 mm-40 -72.02 -33.57 68.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.412 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -50.79 -58.4 6.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.527 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -50.16 28.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.864 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 90.2 mt-30 -48.36 -49.56 34.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.983 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.523 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 22.2 p -62.31 -29.93 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.852 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -82.16 -52.27 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 179.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.87 28.23 7.76 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -49.1 -50.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.311 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.49 -39.0 31.48 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.053 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.42 -16.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.272 -179.304 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.534 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 9.5 t0 -57.5 -26.75 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.43 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' B' ' 51' ' ' ALA . 65.6 mt-30 -81.49 -21.7 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.56 -34.06 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -87.71 128.83 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -71.02 -19.61 62.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -26.58 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 4.9 m -64.4 -42.37 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.469 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.46 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.01 49.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.962 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.27 -32.74 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.54 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mmt -58.45 -27.91 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -53.13 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.793 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.23 -63.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.713 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.71 -36.79 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.31 -51.72 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.89 -25.11 66.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . 90.3 m-20 -82.47 24.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.531 ' O ' ' CE ' ' B' ' 30' ' ' LYS . . . -29.4 -49.85 0.12 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.72 2.56 18.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.22 -175.65 44.99 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.55 143.86 20.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.42 152.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.46 -73.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.5 OUTLIER 172.44 -61.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.687 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 7.6 mp0 -61.83 -28.57 69.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -63.1 -23.48 67.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.644 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.539 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.11 -27.58 69.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.689 0.28 . . . . 0.0 110.994 -178.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.583 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 22.6 m -51.56 -59.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.689 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.583 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.2 p -51.96 -36.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.773 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 tp -51.9 -40.08 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.549 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' B' ' 82' ' ' THR . 97.1 t -63.43 -33.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.912 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.66 -47.69 81.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.03 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.196 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.21 -31.63 58.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.895 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 15.3 m -56.94 -61.11 2.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.779 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.88 -42.08 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.31 -41.79 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.492 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.15 -39.45 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -42.66 83.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.702 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.76 -34.51 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -56.35 -48.09 77.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.27 -46.02 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -117.29 112.61 20.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.599 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.49 20.53 12.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.426 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -48.77 -35.47 14.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.579 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' N ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.468 ' OG ' ' OE2' ' A' ' 5' ' ' GLU . 70.7 m 56.65 31.35 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.1 -26.57 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 1.5 mm? -74.5 -47.99 29.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.261 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.58 -33.46 32.77 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -66.23 -43.77 85.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.826 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.3 -36.52 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.264 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.98 -42.35 62.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.425 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.39 -38.23 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.91 -44.88 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.06 -36.76 69.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.38 -33.38 33.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.779 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -71.26 -57.27 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.3 -36.68 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.547 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.04 -41.79 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -59.01 -36.6 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.09 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.33 -100.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.2 m -120.14 135.76 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.99 -45.08 0.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' GLU . 67.7 tttt -96.0 30.99 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.501 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 7.4 pt-20 -33.87 106.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.61 -29.03 11.47 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 25' ' ' LYS . 44.8 t0 -110.13 143.14 40.64 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 24' ' ' ASP . 55.5 mttm -43.67 172.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -45.48 135.23 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.762 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -175.04 124.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.302 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.43 115.19 9.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.559 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t -70.85 167.08 19.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 4.4 pttm -50.38 -47.54 56.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 60.7 mttm -56.05 -50.39 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.179 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 29' ' ' SER . 34.7 mt-10 -48.56 -56.08 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.686 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.76 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.236 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 60.9 tttm -50.0 -48.04 52.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' A' ' 39' ' ' THR . 69.0 mm-40 -67.9 -32.17 72.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.203 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.7 tt -49.24 -57.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.436 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -72.5 -52.53 15.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.021 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 26.5 mt-30 -48.58 -45.31 37.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.696 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.52 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 35.6 p -64.57 -29.21 70.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.43 -51.37 8.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.876 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.77 27.94 9.07 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.143 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.45 21.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.622 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.21 -36.23 35.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 46' ' ' ASP . 21.1 t80 -73.12 -56.99 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -50.21 -12.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.388 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 44' ' ' PHE . 3.4 t70 -56.69 -29.38 62.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.89 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.24 -34.11 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.3 mt-30 -75.03 -29.32 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.99 -35.41 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.09 -29.63 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.95 131.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.84 -19.84 62.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -31.9 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 11.4 m -56.0 -44.07 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 25.3 t0 -66.55 -29.35 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.651 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.63 -47.89 49.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.46 -32.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.811 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.32 -27.87 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.14 -30.89 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.52 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.67 -38.4 80.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.678 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 65' ' ' GLY . 27.3 t70 -60.11 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -40.0 -61.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.805 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.6 m-20 -87.4 24.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -42.4 -50.16 5.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.97 62.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.98 -166.46 40.77 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.65 167.13 20.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.051 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 70' ' ' ASP . 7.3 p -121.73 143.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 69' ' ' VAL . 32.1 t70 -43.66 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.671 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -167.17 -70.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.376 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.671 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.88 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.784 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -48.73 -23.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.743 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -72.97 -26.15 61.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.553 ' N ' ' CD1' ' A' ' 74' ' ' TYR . 28.1 m -49.69 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.288 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.533 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 p -57.69 -38.34 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.609 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.21 -33.0 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.19 -35.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -53.14 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.978 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.66 -30.05 12.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.04 -45.88 25.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.31 -47.09 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.308 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.7 p -54.25 -38.9 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.679 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.68 -31.89 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.45 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.48 -48.91 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.88 -44.09 77.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 1.4 m-80 -66.48 -35.19 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -66.59 -53.27 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.71 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -68.45 -50.01 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -108.8 143.54 37.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.84 114.91 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.0 OUTLIER -74.64 157.44 35.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.53 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.595 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.404 ' N ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.478 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 70.6 m 56.67 31.32 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.09 -26.51 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.568 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.5 mm? -74.54 -47.92 29.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.275 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.478 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.67 -33.44 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -66.29 -43.62 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.874 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.54 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.224 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.93 -42.52 62.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.25 -38.26 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -53.99 -44.79 71.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.649 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -72.07 -36.81 69.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.36 -33.4 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -71.2 -57.3 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.37 -36.52 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.598 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -72.18 -41.72 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.497 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -59.06 -36.62 75.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.16 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.29 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -120.11 135.73 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.93 -45.09 0.65 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' B' ' 22' ' ' GLU . 67.7 tttt -96.05 31.0 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 21' ' ' LYS . 7.4 pt-20 -33.55 105.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.851 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.21 -29.05 9.23 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' B' ' 25' ' ' LYS . 44.8 t0 -110.11 143.13 40.62 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' B' ' 24' ' ' ASP . 55.5 mttm -43.82 172.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -45.66 135.23 6.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -174.96 124.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.266 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.47 115.25 9.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.528 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.1 t -70.93 167.04 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.467 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 4.4 pttm -50.29 -47.53 55.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.981 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 60.6 mttm -56.15 -50.28 71.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.2 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.59 -56.1 9.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.676 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' B' ' 33' ' ' LEU . 2.2 tt -67.73 -56.45 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.248 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.483 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 60.9 tttm -49.93 -48.04 52.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.047 0.451 . . . . 0.0 110.669 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' B' ' 39' ' ' THR . 69.0 mm-40 -67.85 -32.22 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.491 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.2 -57.68 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.451 -178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -52.47 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.045 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 26.5 mt-30 -48.6 -45.43 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.52 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 35.6 p -64.55 -29.12 70.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 0.0 OUTLIER -81.55 -51.3 8.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.832 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.77 27.88 9.13 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.197 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.5 21.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.533 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.31 -36.09 35.66 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.483 ' C ' ' H ' ' B' ' 46' ' ' ASP . 20.9 t80 -73.21 -56.89 4.49 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -50.21 -12.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.304 -178.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' B' ' 44' ' ' PHE . 3.4 t70 -56.73 -29.32 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.879 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.26 -34.0 43.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' B' ' 51' ' ' ALA . 98.3 mt-30 -75.13 -29.25 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.94 -35.48 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -29.68 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.463 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -89.09 131.07 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.573 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.8 -19.86 62.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.97 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.744 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 11.3 m -56.03 -44.04 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.504 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 25.0 t0 -66.5 -29.46 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.661 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.65 -47.8 49.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -32.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.795 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.29 -27.86 49.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.17 -30.87 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.49 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.73 -38.36 80.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.08 -63.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.026 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -39.96 -61.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.788 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.7 m-20 -87.41 24.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.42 -50.19 5.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.99 62.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.36 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.01 -166.47 40.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.63 167.01 20.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.442 -0.379 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' B' ' 70' ' ' ASP . 7.3 p -121.64 143.63 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 69' ' ' VAL . 32.1 t70 -43.7 -97.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -167.12 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.302 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.93 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -48.63 -23.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -72.98 -25.93 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.555 ' N ' ' CD1' ' B' ' 74' ' ' TYR . 28.3 m -49.91 -57.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.124 -0.631 . . . . 0.0 111.281 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.532 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.1 p -57.72 -38.25 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.619 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.24 -32.97 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.28 -35.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -53.03 32.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.02 12.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.99 0.424 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.03 -45.93 25.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -69.37 -47.0 65.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.329 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 4.7 p -54.17 -38.98 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -66.72 -31.88 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.421 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.0 t -73.56 -48.89 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.9 -44.02 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.668 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 1.4 m-80 -66.51 -35.1 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.76 -53.09 36.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.48 -50.08 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -108.72 143.63 37.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.01 114.86 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.546 ' N ' HD21 ' B' ' 92' ' ' ASN . 0.0 OUTLIER -74.55 157.49 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.581 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 2.1 p 83.56 17.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.27 -23.63 62.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.6 mm? -72.94 -51.3 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.131 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -32.02 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -65.19 -46.09 82.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.14 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.07 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.813 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.32 -37.63 68.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -54.24 -49.76 68.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.884 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.48 -32.0 72.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.509 ' CD1' ' HG1' ' B' ' 82' ' ' THR . 78.0 mt -74.39 -49.16 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.5 -57.17 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.85 -37.14 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 64.5 t80 -72.28 -55.39 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -48.82 -28.07 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.626 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.11 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -75.12 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.667 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.44 114.87 22.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.702 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -3.31 21.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' O ' ' N ' ' A' ' 23' ' ' GLY . 10.3 tttt -94.88 0.51 54.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.314 . . . . 0.0 110.448 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.07 75.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.053 0.454 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -67.37 -19.29 70.45 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 25' ' ' LYS . 39.0 m-20 -108.17 161.35 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.453 -0.373 . . . . 0.0 110.065 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 24' ' ' ASP . 32.2 mttm -19.86 128.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.615 0.572 . . . . 0.0 111.849 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -100.06 117.22 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.362 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -140.14 151.62 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -135.66 129.31 32.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 163.77 23.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.328 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 17.1 pttp -50.65 -45.05 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 22.1 mtpp -59.08 -50.09 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.29 -47.72 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.628 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.01 -56.05 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -49.98 -41.59 47.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.204 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 39' ' ' THR . 77.0 mm-40 -72.45 -32.79 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.306 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -49.81 -57.33 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.66 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -55.81 10.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.845 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.5 mt-30 -48.24 -48.65 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 63.4 p -60.58 -29.99 69.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.57 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -82.34 -52.46 6.9 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.257 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.33 27.98 8.79 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.958 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -48.07 -47.32 34.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.687 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.25 -35.07 38.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 46' ' ' ASP . 21.9 t80 -74.09 -56.78 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -50.04 -12.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.311 -178.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 44' ' ' PHE . 13.4 t0 -57.82 -29.26 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.831 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.7 -27.25 34.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.527 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ALA . 28.1 mt-30 -72.18 -22.0 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -43.98 -26.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 67.7 t0 -64.7 -35.43 81.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.642 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.11 123.47 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -69.98 -19.75 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.76 -27.66 12.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 16.1 m -53.26 -43.02 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 3.3 t70 -72.24 -29.73 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.26 -47.36 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.05 -38.51 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.4 mmt -51.0 -27.96 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.524 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -55.69 -32.03 62.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.46 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 -37.39 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -53.33 -50.56 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.34 -31.09 20.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . 63.2 m-20 -83.0 24.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.0 -46.45 0.07 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -110.73 -8.53 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -175.01 44.82 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.879 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.81 -175.0 3.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.433 -0.383 . . . . 0.0 110.225 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 70' ' ' ASP . 9.1 p -138.78 137.82 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.376 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' VAL . 51.3 t0 -35.43 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -176.73 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.134 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.565 ' OE1' ' CD2' ' A' ' 71' ' ' PHE . 2.7 mp0 -50.78 -34.86 29.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.208 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.18 -26.07 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.501 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.578 ' CG2' ' H ' ' A' ' 76' ' ' VAL . 29.4 m -57.81 -60.22 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.49 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.578 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 2.4 p -53.46 -38.75 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 110.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.59 -38.27 53.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.27 -32.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.214 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.08 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.095 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.38 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.547 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.0 -42.08 40.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.2 t -72.08 -47.67 49.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.251 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.564 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.6 p -53.14 -37.54 27.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.79 -39.84 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.295 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.5 t -73.64 -41.57 62.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -55.95 -36.68 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 3.2 m120 -60.79 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.8 -51.01 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -62.89 -47.9 81.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.363 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 87' ' ' ASN . 8.5 m95 -104.28 112.24 25.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -137.83 26.92 2.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -54.23 -32.75 56.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.572 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 2.1 p 83.46 17.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.42 -23.57 61.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -72.95 -51.4 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -32.08 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -65.25 -45.93 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.22 -33.13 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.16 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.789 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.21 -37.73 69.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -54.09 -49.94 67.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.4 -31.99 72.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.511 ' CD1' ' HG1' ' A' ' 82' ' ' THR . 77.5 mt -74.4 -49.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.46 -57.14 12.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.97 -37.13 20.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 64.4 t80 -72.25 -55.38 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -48.84 -28.07 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.16 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -74.98 -100.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.761 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.47 114.95 22.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.28 -3.21 21.24 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' B' ' 23' ' ' GLY . 10.3 tttt -94.96 0.49 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 110.402 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.94 75.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.45 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -67.27 -19.3 70.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' B' ' 25' ' ' LYS . 38.9 m-20 -108.24 161.31 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.367 -0.416 . . . . 0.0 110.038 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' B' ' 24' ' ' ASP . 32.1 mttm -19.84 128.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.698 0.624 . . . . 0.0 111.839 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.4 OUTLIER -100.07 117.37 34.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.35 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -140.18 151.61 45.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.34 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -135.58 129.33 32.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -69.08 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.32 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 17.1 pttp -50.62 -45.08 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 22.2 mtpp -59.1 -50.05 75.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -48.27 -47.69 36.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -56.1 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -49.93 -41.57 46.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' B' ' 39' ' ' THR . 77.1 mm-40 -72.47 -32.79 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.337 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.519 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.85 -57.3 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.652 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -55.83 10.2 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.86 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.5 mt-30 -48.3 -48.64 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 63.7 p -60.55 -29.99 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.685 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -82.29 -52.41 6.96 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.364 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.4 28.03 8.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.988 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.617 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -48.05 -47.32 33.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.06 38.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.6 t80 -74.07 -56.93 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.2 OUTLIER -49.9 -12.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 44' ' ' PHE . 13.5 t0 -57.73 -29.3 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.851 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -27.35 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 51' ' ' ALA . 28.1 mt-30 -72.07 -22.08 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -44.07 -26.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 67.8 t0 -64.82 -35.39 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -88.12 123.39 32.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.83 -19.79 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.62 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 15.9 m -53.19 -43.11 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.425 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 3.3 t70 -72.17 -29.68 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.29 -47.35 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -38.41 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.537 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -51.14 -27.86 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -55.75 -31.97 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.45 -63.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.685 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 pp -66.03 -37.33 85.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -53.27 -50.6 64.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.34 -30.98 20.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.487 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' B' ' 67' ' ' GLY . 63.1 m-20 -83.1 24.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.497 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.01 -46.36 0.07 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -110.83 -8.52 14.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.41 -175.03 44.81 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.228 -0.51 . . . . 0.0 111.909 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.8 -175.04 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.416 -0.392 . . . . 0.0 110.219 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' B' ' 70' ' ' ASP . 9.1 p -138.76 137.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 69' ' ' VAL . 51.4 t0 -35.34 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -176.6 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.132 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.568 ' OE1' ' CD2' ' B' ' 71' ' ' PHE . 2.7 mp0 -50.71 -35.01 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.263 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.15 -22.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.724 0.297 . . . . 0.0 111.274 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -64.05 -26.17 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.548 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.589 ' CG2' ' H ' ' B' ' 76' ' ' VAL . 29.1 m -57.82 -60.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.374 -0.531 . . . . 0.0 111.518 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.589 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 2.4 p -53.59 -38.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.574 0.226 . . . . 0.0 110.928 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.54 -38.27 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -32.85 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.155 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.9 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.098 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.44 72.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.01 -42.02 40.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.2 t -72.04 -47.8 49.05 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.181 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.56 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 8.5 p -53.08 -37.57 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.94 -39.74 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.253 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.6 t -73.6 -41.49 62.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -56.03 -36.6 68.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 3.2 m120 -60.92 -34.66 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.457 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -56.79 -51.02 70.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.409 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.94 -47.88 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.474 ' O ' ' O ' ' B' ' 87' ' ' ASN . 8.5 m95 -104.23 112.31 25.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.458 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -137.8 26.78 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -54.16 -32.68 56.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.575 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER 157.52 25.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.884 0.374 . . . . 0.0 110.406 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' B' ' 10' ' ' THR . 78.5 mm-40 -67.46 -25.65 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 1.6 mm? -74.36 -50.67 17.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.168 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -37.58 55.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.47 68.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.626 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.75 -40.76 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -71.78 -40.47 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' B' ' 3' ' ' GLU . 18.0 m -54.38 -53.06 59.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.46 -39.13 93.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.55 -37.19 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.657 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.68 -53.77 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.68 -36.69 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.18 -57.14 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.646 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.92 -29.84 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -74.87 -100.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -120.4 115.08 22.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -1.67 22.06 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -96.56 -10.16 27.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.274 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 80.75 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.186 0.517 . . . . 0.0 110.564 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.0 -15.5 81.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 25' ' ' LYS . 2.1 p30 -98.76 161.2 13.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.524 -0.338 . . . . 0.0 110.196 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 24' ' ' ASP . 60.2 mttp -20.25 124.98 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.696 0.622 . . . . 0.0 111.823 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.557 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 1.4 p90 -99.96 134.23 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.459 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -140.1 136.48 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.493 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.75 159.49 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -50.45 -35.58 29.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.658 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 62.3 mttp -51.7 -40.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.37 -48.64 19.21 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -56.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.84 -43.23 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.475 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 31' ' ' LYS . 68.7 mm-40 -72.15 -31.99 66.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.2 tt -48.93 -57.24 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -55.35 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.321 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.62 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.2 mt-30 -48.43 -48.83 37.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 43.1 p -61.47 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.612 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.11 -52.23 7.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.24 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.89 28.36 8.53 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.781 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.62 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.46 -51.36 15.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.47 -32.87 49.84 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.746 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.6 t80 -72.69 -60.59 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.461 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.43 -16.23 0.54 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.123 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.6 t70 -56.53 -30.29 62.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.065 0.459 . . . . 0.0 109.787 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.96 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.295 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 51' ' ' ALA . 89.5 mt-30 -83.96 -23.29 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.0 -29.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.37 -28.47 69.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.413 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.05 131.58 37.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -71.23 -19.57 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.55 -32.24 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.489 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 15.9 m -53.59 -47.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.489 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 13.8 t0 -66.36 -29.19 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.746 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.44 -45.55 46.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -32.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.436 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.68 62.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.397 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -56.4 -30.86 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.264 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.9 -63.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.4 pp -65.69 -38.15 88.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.498 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.2 t70 -58.49 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 81.8 tt0 -39.96 -61.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.509 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 67' ' ' GLY . 84.2 m-20 -101.5 24.61 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.217 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -59.83 -22.34 62.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.788 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -90.65 -170.75 43.48 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.43 134.72 36.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.419 -0.391 . . . . 0.0 110.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 70' ' ' ASP . 13.7 p -105.16 157.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' OD1' ' CD1' ' A' ' 26' ' ' TYR . 20.6 t0 -47.83 -103.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.529 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 28.4 t80 -163.59 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 72' ' ' GLN . 11.9 mp0 -50.9 -40.96 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -47.98 -22.6 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.161 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -67.72 -26.01 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' TYR . 28.6 m -50.29 -60.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.586 ' H ' ' CG2' ' A' ' 75' ' ' VAL . 1.6 p -55.12 -37.25 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.772 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.76 -37.61 52.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.16 -32.55 54.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.85 94.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.105 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.73 -44.51 58.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.108 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.49 -31.71 57.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.184 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -55.41 -62.15 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 5.2 p -55.2 -39.51 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.57 -36.91 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -72.41 -41.03 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.71 -45.28 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 84.7 m-20 -62.05 -34.21 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -54.14 -43.35 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.06 -50.1 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 11.1 m95 -103.36 124.34 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.576 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -90.14 -24.06 21.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.478 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 93' ' ' SER . 4.5 p30 -51.9 -38.72 57.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.425 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 17.9 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.9 OUTLIER 157.52 25.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.321 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 78.5 mm-40 -67.5 -25.66 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.547 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.6 mm? -74.34 -50.53 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.269 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -37.55 56.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.1 -42.46 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.32 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.682 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.89 -40.68 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.81 -40.52 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 3' ' ' GLU . 18.1 m -54.31 -53.08 58.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -39.04 93.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.59 -37.22 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.685 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -58.59 -53.86 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.68 -36.56 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.718 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.34 -57.07 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.07 91.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -75.06 -100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -120.47 115.14 22.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.15 -1.72 22.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -96.57 -10.14 27.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.31 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 80.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.124 0.488 . . . . 0.0 110.527 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.13 -15.39 81.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.984 -1.247 . . . . 0.0 109.984 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' B' ' 25' ' ' LYS . 2.1 p30 -98.86 161.19 13.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' B' ' 24' ' ' ASP . 60.2 mttp -20.29 125.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.73 0.644 . . . . 0.0 111.812 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.554 ' CD1' ' OD1' ' B' ' 70' ' ' ASP . 1.4 p90 -100.03 134.3 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -140.18 136.54 33.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -139.56 115.84 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.68 159.47 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -50.4 -35.65 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' B' ' 35' ' ' GLU . 62.3 mttp -51.65 -40.31 59.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.277 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.32 -48.74 19.0 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.436 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -56.59 12.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.993 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.83 -43.26 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.431 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 31' ' ' LYS . 68.6 mm-40 -72.14 -31.98 66.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.513 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -48.97 -57.15 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.108 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -55.37 10.34 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.3 mt-30 -48.47 -48.81 37.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.497 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 43.4 p -61.48 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.647 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.08 -52.27 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.234 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.8 28.3 8.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.779 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.627 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.52 -51.22 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -32.91 49.69 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.792 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.1 t80 -72.84 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.442 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -51.27 -16.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.24 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.535 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 2.6 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 109.799 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.47 -21.81 38.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.311 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' B' ' 51' ' ' ALA . 89.3 mt-30 -84.08 -23.28 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.662 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -43.95 -29.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.36 -28.45 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.426 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -93.09 131.66 37.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.624 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.3 -19.48 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.67 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.22 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 16.1 m -53.6 -47.37 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 13.7 t0 -66.3 -29.18 69.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.51 -45.39 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -32.9 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.38 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.78 62.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.31 -30.93 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.91 -63.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 65' ' ' GLY . 2.4 pp -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.49 -50.11 74.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -39.91 -61.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' B' ' 67' ' ' GLY . 84.1 m-20 -101.33 24.59 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.591 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.0 p30 -59.92 -22.36 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.329 . . . . 0.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.591 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -90.59 -170.72 43.54 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.706 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.4 134.8 36.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.438 -0.381 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' B' ' 70' ' ' ASP . 13.6 p -105.28 157.56 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.608 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CD1' ' B' ' 26' ' ' TYR . 20.5 t0 -47.75 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.498 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 28.2 t80 -163.52 -58.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.465 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 11.8 mp0 -50.87 -40.95 57.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.01 -22.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.696 0.284 . . . . 0.0 111.228 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -67.83 -25.98 65.83 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' B' ' 74' ' ' TYR . 28.9 m -50.3 -60.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.897 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.587 ' H ' ' CG2' ' B' ' 75' ' ' VAL . 1.6 p -55.23 -37.17 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.738 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.68 -37.69 51.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.07 -32.62 54.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.588 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.92 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -44.56 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.117 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.44 -31.77 58.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -55.48 -62.02 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 5.2 p -55.26 -39.49 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.61 -36.94 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.4 -40.98 66.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -60.72 -45.26 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.477 ' O ' ' O ' ' B' ' 90' ' ' TRP . 84.7 m-20 -62.11 -34.19 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -54.16 -43.26 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -73.15 -50.06 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.477 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.1 m95 -103.25 124.27 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -90.0 -24.19 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 93' ' ' SER . 4.5 p30 -51.94 -38.67 57.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 18.0 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.822 0.344 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -72.45 -26.06 61.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.3 mm? -74.27 -48.34 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.487 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -31.9 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.49 -44.81 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.145 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.88 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.42 -37.15 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.1 m -54.06 -47.83 71.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.44 HD13 ' CG1' ' A' ' 75' ' ' VAL . 31.1 mt -69.45 -36.69 76.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.1 -40.97 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.83 -56.82 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.7 p -51.85 -43.07 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.74 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.533 ' N ' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -71.84 -41.77 67.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.54 70.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -67.76 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.4 p -120.13 147.52 44.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.19 -45.09 0.82 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.4 tttm . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.388 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.826 0.346 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -72.09 167.95 19.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 43.2 pttt -50.41 -45.77 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 96.6 mttt -56.98 -49.91 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.54 -56.87 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.701 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 HG11 ' A' ' 69' ' ' VAL . 1.8 tt -59.77 -50.97 71.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.669 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE2' HE22 ' A' ' 38' ' ' GLN . 82.3 tttt -56.82 -49.39 75.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.643 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 39' ' ' THR . 79.9 mm-40 -67.51 -32.4 73.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.66 -57.56 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.485 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.32 -50.97 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.845 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 99.3 mt-30 -48.3 -43.92 33.41 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.305 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.507 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 29.2 p -65.2 -29.36 70.17 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.69 -50.52 9.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.16 28.11 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.249 -179.438 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -52.17 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 -31.66 52.58 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.816 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.1 t80 -74.04 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.625 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.32 -15.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.482 -179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.8 t0 -57.53 -29.28 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.839 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.4 40.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -78.24 -22.61 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.92 -29.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.81 -31.38 72.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -90.52 129.26 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.626 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.95 -19.53 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.18 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.736 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.5 m -53.85 -46.26 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG23 ' A' ' 54' ' ' VAL . 12.2 t0 -68.6 -29.34 67.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.73 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.76 -46.74 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -32.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.64 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.92 -27.74 53.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -52.9 -31.09 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.75 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -67.17 -39.15 86.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' ' 61' ' ' LEU . 26.1 t70 -51.97 -41.15 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 -26.89 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 65' ' ' GLY . 92.5 m-20 -85.43 24.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -28.22 -50.34 0.09 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.65 -11.74 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.54 -175.16 44.61 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.83 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -135.62 -174.99 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.208 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.726 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -137.76 139.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' VAL . 12.8 t70 -35.13 -88.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -177.62 -74.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 12.9 mp0 -51.25 -32.56 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.776 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.42 -22.76 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.606 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -68.25 -27.01 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.0 m -50.59 -59.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.145 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.8 p -52.64 -38.79 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.818 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.6 -33.41 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 82' ' ' THR . 58.3 t -70.19 -38.19 73.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.32 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.69 92.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.78 -34.8 28.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.916 0.388 . . . . 0.0 110.183 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.44 -33.52 58.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 78' ' ' VAL . 69.2 p -67.14 -56.58 9.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 6.1 p -49.01 -38.92 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.456 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -64.61 -46.18 83.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -57.32 -36.9 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 97.4 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.872 0.368 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -72.44 -25.99 61.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.787 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.3 mm? -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.416 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.92 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.17 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.59 -44.69 77.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.131 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.15 -32.82 67.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.38 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.94 -43.21 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.36 -37.2 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.9 m -53.99 -47.89 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.819 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' CG1' ' B' ' 75' ' ' VAL . 30.6 mt -69.44 -36.56 76.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.18 -40.95 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.87 -56.88 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.7 p -51.87 -42.98 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 31.2 t80 -71.9 -41.74 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -58.05 -30.42 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.58 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -67.8 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.6 p -120.19 147.45 44.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.12 -45.15 0.82 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.789 0.328 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -71.95 167.93 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.237 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 43.3 pttt -50.47 -45.79 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 96.7 mttt -56.93 -49.89 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.02 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.6 -56.87 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.727 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 HG11 ' B' ' 69' ' ' VAL . 1.8 tt -59.79 -50.9 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.736 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.46 ' HE2' HE22 ' B' ' 38' ' ' GLN . 82.3 tttt -56.84 -49.36 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 0.0 110.602 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.507 ' O ' HG23 ' B' ' 39' ' ' THR . 79.9 mm-40 -67.56 -32.43 73.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.12 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.523 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.69 -57.56 7.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.467 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.441 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.2 -51.06 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.869 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' B' ' 42' ' ' SER . 99.4 mt-30 -48.27 -43.86 33.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.408 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.507 HG23 ' O ' ' B' ' 35' ' ' GLU . 28.6 p -65.27 -29.4 70.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -50.63 9.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.908 179.414 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.19 28.16 8.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.234 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.85 -52.14 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.8 -31.76 52.45 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.221 -0.514 . . . . 0.0 111.819 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.8 t80 -73.97 -59.72 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.659 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.055 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.27 -15.01 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.526 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.055 ' N ' HD23 ' B' ' 45' ' ' LEU . 11.8 t0 -57.62 -29.25 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.113 0.482 . . . . 0.0 109.852 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.92 -25.47 40.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' ALA . 95.8 mt-30 -78.17 -22.68 48.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.99 -29.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.72 -31.54 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -90.41 129.27 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.1 -19.5 62.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.73 -27.27 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.606 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.6 m -53.91 -46.22 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.606 ' N ' HG23 ' B' ' 54' ' ' VAL . 12.2 t0 -68.5 -29.44 68.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -49.74 -46.7 50.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.81 -32.91 29.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.653 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.94 -27.67 53.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -52.95 -31.03 38.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.66 -63.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.583 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -67.13 -39.26 86.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.583 ' N ' HD12 ' B' ' 61' ' ' LEU . 26.0 t70 -51.92 -41.18 61.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.05 -26.91 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' B' ' 65' ' ' GLY . 92.4 m-20 -85.47 24.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -28.32 -50.24 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -110.71 -11.62 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.53 -175.06 44.63 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -135.73 -174.96 3.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.124 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.723 HG11 HD12 ' B' ' 33' ' ' LEU . 5.9 p -137.78 139.1 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 69' ' ' VAL . 12.9 t70 -35.21 -88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.815 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -177.8 -74.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 12.9 mp0 -51.3 -32.51 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.36 -22.78 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -68.27 -26.95 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.683 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.764 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.0 m -50.47 -60.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.364 -0.535 . . . . 0.0 111.187 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -52.67 -38.78 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.72 -33.31 33.96 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.772 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' HG23 ' B' ' 82' ' ' THR . 59.3 t -70.29 -38.15 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.184 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.61 91.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -34.93 28.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.956 0.407 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.677 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.27 -33.58 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 78' ' ' VAL . 69.8 p -67.14 -56.53 9.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 87' ' ' ASN . 6.1 p -49.09 -38.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.411 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.51 -46.22 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.29 -44.41 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -57.26 -36.96 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' B' ' 83' ' ' VAL . 97.4 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.516 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.346 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -22.96 61.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -74.36 -49.62 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -32.53 40.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.338 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 m -66.8 -41.8 86.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.01 -33.73 70.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.2 -41.14 68.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.11 -40.7 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.771 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -53.96 -45.94 71.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.695 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 75' ' ' VAL . 34.9 mt -71.91 -34.59 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.55 -43.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -63.35 -56.21 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -51.87 -38.89 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.557 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 64.1 t80 -72.2 -50.64 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.6 -27.26 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.2 75.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.7 -99.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -113.54 143.69 44.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.0 -45.22 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 tttt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.329 . . . . 0.0 110.508 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.761 0.315 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.37 166.29 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.21 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 42.5 pttt -50.64 -45.77 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.318 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 81.4 mttt -58.47 -50.13 74.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.617 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.4 37.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -75.14 -55.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.45 -42.29 66.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.491 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 80.3 mm-40 -71.63 -33.16 68.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.278 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.3 tt -50.01 -57.55 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.312 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.94 -54.93 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.631 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.7 mt-30 -48.33 -49.46 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.1 p -59.82 -29.85 68.53 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.68 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.25 -52.32 7.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.281 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.13 28.44 8.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.932 -179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -50.62 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.996 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.23 34.93 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.3 t80 -68.83 -60.16 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.621 0.248 . . . . 0.0 111.592 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.351 -179.068 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 t0 -55.2 -27.02 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 109.792 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 -25.12 30.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.443 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -80.44 -27.21 38.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -43.93 -31.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.408 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.75 -28.38 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.81 134.03 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 45.4 p-10 -71.18 -19.45 62.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.42 -28.41 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 55' ' ' ASP . 21.4 m -55.38 -47.47 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.0 t70 -64.54 -29.17 70.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.775 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -49.42 -45.59 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -74.28 -32.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.464 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.8 -30.4 67.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.544 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.78 -30.73 34.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.53 -56.99 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 3.2 pp -76.0 -25.15 55.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.862 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -46.48 89.33 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.4 -28.15 18.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' GLY . 90.5 m-20 -88.81 24.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.494 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -29.12 -46.54 0.07 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.64 -13.69 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.457 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.39 -173.95 44.72 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.63 -174.9 3.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.228 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.784 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -136.85 138.23 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.429 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 69' ' ' VAL . 13.6 t70 -34.23 -95.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -169.75 -75.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.245 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 75' ' ' VAL . 10.6 mp0 -51.63 -31.55 25.73 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.69 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -48.09 -22.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.676 0.274 . . . . 0.0 111.452 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -66.29 -27.33 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.742 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.0 m -51.0 -60.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.359 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -53.93 -37.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.811 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.55 -38.49 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 HD12 ' B' ' 4' ' ' LEU . 39.9 t -67.29 -32.68 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.627 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -66.69 -41.81 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -43.8 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.7 tt -76.45 -32.47 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.084 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -54.64 -58.9 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.0 p -58.44 -37.21 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.37 -51.74 64.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.568 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.85 -40.16 95.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -23.05 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.783 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -74.22 -49.74 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.29 -32.61 38.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.386 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.4 m -66.83 -41.67 87.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.05 -33.81 70.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.17 -41.12 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.07 -40.69 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.744 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.95 -45.82 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' B' ' 75' ' ' VAL . 34.6 mt -72.06 -34.61 68.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.43 -43.72 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.42 -56.22 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.017 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.5 p -51.8 -38.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.66 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 64.1 t80 -72.32 -50.6 25.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.58 -27.34 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.3 75.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.69 -99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -113.56 143.79 43.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.09 -45.23 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 70.0 tttt . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.559 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.702 0.287 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.39 166.21 22.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.153 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 42.4 pttt -50.43 -45.89 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 81.3 mttt -58.47 -50.07 75.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.679 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -43.23 38.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.774 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -75.06 -55.32 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -53.46 -42.21 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.993 0.425 . . . . 0.0 110.529 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -71.71 -33.0 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.346 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.525 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.2 tt -50.17 -57.51 7.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.242 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.555 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -67.95 -54.91 15.02 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.639 -179.472 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.6 mt-30 -48.33 -49.49 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.1 p -59.76 -29.92 68.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.703 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.22 -52.27 7.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.294 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.504 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.06 28.35 8.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.993 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.619 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.66 -50.56 13.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.77 -37.3 34.52 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.421 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.4 t80 -68.72 -60.27 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.61 0.243 . . . . 0.0 111.557 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.048 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.49 -15.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.426 -179.069 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.048 ' N ' HD23 ' B' ' 45' ' ' LEU . 7.4 t0 -55.24 -27.06 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.04 -25.11 30.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -80.5 -27.12 37.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.71 -28.49 67.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.75 134.03 39.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.683 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 45.2 p-10 -71.17 -19.46 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.52 -28.34 13.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.617 HG23 ' N ' ' B' ' 55' ' ' ASP . 21.5 m -55.39 -47.5 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 110.354 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.0 t70 -64.52 -29.31 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -49.37 -45.6 46.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.434 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.29 -32.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.77 -30.47 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.559 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -52.76 -30.75 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.747 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -68.48 -57.06 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -75.83 -25.23 56.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.932 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -46.53 89.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.36 -28.22 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 90.6 m-20 -88.71 24.48 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -29.08 -46.51 0.07 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.65 -13.78 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.466 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.31 -173.86 44.82 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.877 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.67 -174.97 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.243 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.774 HG11 HD12 ' B' ' 33' ' ' LEU . 6.0 p -136.83 138.21 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.416 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' B' ' 69' ' ' VAL . 13.8 t70 -34.22 -95.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -169.73 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.263 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.727 ' O ' HG22 ' B' ' 75' ' ' VAL . 10.6 mp0 -51.67 -31.51 26.04 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.707 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -48.13 -22.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.497 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -66.22 -27.41 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.755 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.2 m -51.0 -60.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.348 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.755 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -53.98 -37.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.846 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.5 -38.48 54.25 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.426 HG21 HD12 ' A' ' 4' ' ' LEU . 40.0 t -67.37 -32.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.515 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -66.66 -41.9 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -43.83 57.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.716 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.7 tt -76.48 -32.38 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.038 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -54.73 -58.88 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.412 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.1 p -58.44 -37.17 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.412 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.43 -51.66 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.592 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.89 -40.11 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.702 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.629 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.98 -22.78 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.5 mm? -74.33 -48.91 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -33.2 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.204 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -63.52 -43.44 97.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.752 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.78 -34.46 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -53.96 -41.57 67.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -71.95 -39.94 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.757 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -54.05 -46.38 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.1 mt -71.55 -35.55 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -34.83 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -68.41 -56.4 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.006 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.0 p -51.79 -39.15 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.793 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 67.7 t80 -71.24 -43.55 67.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.648 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -57.91 -33.05 68.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -72.1 -100.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.2 132.45 55.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -41.4 0.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 tttp . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.454 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 82.1 mt . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.726 0.298 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -97.95 169.71 9.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.63 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 15.9 pttp -50.44 -45.13 55.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 23.6 mtpp -67.63 -49.32 63.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -47.67 -56.52 7.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.959 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 HG11 ' A' ' 69' ' ' VAL . 1.1 tt -60.69 -56.06 25.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.95 -45.09 74.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' THR . 79.6 mm-40 -71.29 -32.66 68.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -50.0 -57.27 7.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.314 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.84 -55.7 10.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.702 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.0 mt-30 -48.28 -46.76 36.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' GLU . 53.2 p -62.27 -30.13 70.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.55 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.31 -52.38 6.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.352 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.52 28.12 8.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -49.51 14.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.0 -38.58 30.0 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' N ' ' A' ' 46' ' ' ASP . 28.8 t80 -67.46 -60.36 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.452 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.241 -179.187 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.3 t70 -55.96 -30.01 61.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.982 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.79 -18.87 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.2 mt-30 -89.0 -24.19 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.77 -31.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -61.31 -27.74 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.78 130.06 39.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -68.95 -19.45 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.85 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.582 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.1 m -51.48 -44.71 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.179 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.582 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.2 t70 -65.91 -29.5 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.64 -45.16 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -74.56 -32.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 mmt -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.82 -30.79 35.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.3 -25.16 65.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLY . 26.3 t70 -58.93 -45.47 90.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.495 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -49.7 -27.47 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.252 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLY . 76.9 m-20 -88.54 24.45 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.452 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 30' ' ' LYS . . . -30.59 -46.45 0.12 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -111.54 -10.3 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -173.03 44.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 121.617 0.565 . . . . 0.0 112.377 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -131.65 -174.83 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.186 -0.507 . . . . 0.0 110.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.733 HG11 HD12 ' A' ' 33' ' ' LEU . 14.2 p -141.15 140.46 32.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.76 0.314 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 27.8 t70 -46.19 -103.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.68 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -158.42 -72.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.402 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.703 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.1 mp0 -50.86 -34.61 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -48.51 -22.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.669 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.45 63.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.488 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.782 HG23 ' H ' ' A' ' 76' ' ' VAL . 34.5 m -50.21 -60.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.614 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.782 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.7 p -53.83 -37.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.831 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.63 -39.42 58.04 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.16 -32.55 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -64.98 -43.01 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.033 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.41 56.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.36 -31.95 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.7 m -56.44 -61.79 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.719 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 84' ' ' ALA . 7.6 p -55.52 -39.02 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.702 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -56.99 -52.18 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.71 -39.33 76.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -58.9 -40.01 83.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.418 HD21 HG22 ' A' ' 83' ' ' VAL . 78.9 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.904 0.383 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.93 -22.85 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.785 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.5 mm? -74.28 -48.91 25.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -33.23 56.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -63.46 -43.48 97.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.79 -34.5 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.03 -41.47 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.97 -39.99 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.734 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.752 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -53.99 -46.37 71.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 HG12 ' B' ' 75' ' ' VAL . 26.3 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.825 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.21 -35.01 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -68.33 -56.28 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -51.84 -39.28 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.452 ' N ' HG13 ' B' ' 14' ' ' VAL . 67.5 t80 -71.11 -43.52 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -57.93 -33.09 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.43 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -72.17 -100.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.615 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.23 132.53 55.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.11 -41.42 0.83 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 tttp . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.478 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 69' ' ' VAL . 81.7 mt . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.659 0.266 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -98.06 169.7 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' B' ' 65' ' ' GLY . 16.0 pttp -50.43 -45.19 55.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 23.7 mtpp -67.48 -49.33 64.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.303 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' B' ' 36' ' ' LEU . 37.5 mm-40 -47.69 -56.49 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.976 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.719 HD12 HG11 ' B' ' 69' ' ' VAL . 1.1 tt -60.6 -56.2 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.784 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.82 -45.17 74.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 110.46 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.66 ' O ' HG23 ' B' ' 39' ' ' THR . 79.6 mm-40 -71.24 -32.73 69.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.05 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.97 -57.24 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.397 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.514 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.76 -55.73 10.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.73 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.9 mt-30 -48.21 -46.92 35.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 35' ' ' GLU . 54.7 p -62.15 -30.17 70.86 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.577 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.37 -52.27 7.06 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.342 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.63 28.19 8.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.9 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.75 -49.5 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 -38.54 30.05 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' B' ' 46' ' ' ASP . 28.8 t80 -67.44 -60.36 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.507 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.042 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.62 -15.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.288 -179.239 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.042 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.3 t70 -56.1 -29.96 61.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.899 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.7 -18.94 46.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -88.93 -24.3 22.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.8 -31.72 0.89 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.424 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -61.28 -27.77 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.72 130.07 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -68.99 -19.45 64.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.83 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.58 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.2 m -51.52 -44.62 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.965 0.412 . . . . 0.0 110.196 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.58 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.2 t70 -66.01 -29.46 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.69 -45.16 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER -74.41 -32.97 32.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmt -59.19 -35.09 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.86 -30.85 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.2 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.755 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.42 -25.11 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 65' ' ' GLY . 26.4 t70 -58.89 -45.49 90.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.593 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -49.69 -27.43 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 77.1 m-20 -88.62 24.45 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.412 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.551 ' O ' ' CD ' ' B' ' 30' ' ' LYS . . . -30.61 -46.46 0.13 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -111.48 -10.31 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.44 -173.0 44.55 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 121.532 0.518 . . . . 0.0 112.355 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.71 -174.74 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.057 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.719 HG11 HD12 ' B' ' 33' ' ' LEU . 14.2 p -141.22 140.41 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.756 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 69' ' ' VAL . 27.8 t70 -46.16 -103.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -158.31 -72.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.464 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.709 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.0 mp0 -50.91 -34.57 29.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -48.53 -22.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.556 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.52 63.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.776 HG23 ' N ' ' B' ' 76' ' ' VAL . 34.6 m -50.25 -60.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.536 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.776 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -53.86 -37.34 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.796 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.62 -39.45 58.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 52.0 t -65.1 -32.59 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.63 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -64.97 -43.05 93.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.007 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.43 -43.48 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.37 -31.97 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.004 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -56.42 -61.74 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.6 p -55.48 -39.14 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -56.92 -52.29 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.68 -39.26 77.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -58.96 -40.02 83.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.658 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.413 HD21 HG22 ' B' ' 83' ' ' VAL . 79.3 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.599 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.523 ' O ' ' OG ' ' A' ' 2' ' ' SER . 1.5 t . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 121.155 0.502 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -69.35 -25.97 64.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -74.32 -47.58 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.401 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -38.09 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -61.0 -41.37 96.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.324 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.16 -36.57 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.628 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.12 -43.14 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.613 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.27 -38.9 68.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.746 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.9 m -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 75' ' ' VAL . 27.5 mt -72.34 -34.21 67.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -74.35 -35.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -67.74 -57.3 6.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.2 p -52.57 -40.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.703 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 62.0 t80 -69.22 -41.2 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.69 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -61.46 -27.07 68.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.76 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -70.92 -98.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.8 p -120.0 145.42 46.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.18 -45.0 1.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttm . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.795 0.331 . . . . 0.0 110.517 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 N--CA 1.461 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -69.32 162.83 26.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 21.9 pttm -50.73 -44.2 58.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 67.6 mttm -58.66 -50.05 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.15 -55.95 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.707 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.886 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -61.04 -52.6 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.39 -48.74 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 39' ' ' THR . 80.5 mm-40 -66.51 -32.57 74.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.037 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.5 tt -49.66 -57.42 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.248 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.16 -56.09 8.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.7 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.7 mt-30 -48.33 -48.58 36.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 35' ' ' GLU . 48.6 p -61.52 -29.83 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.722 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.14 -51.43 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.345 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.44 28.08 9.07 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.191 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -45.86 -47.55 16.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.91 0.386 . . . . 0.0 110.56 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.23 -36.66 34.22 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 46' ' ' ASP . 18.5 t80 -74.0 -55.55 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.002 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.26 -12.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.413 -178.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.002 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.1 t70 -56.26 -27.95 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 109.755 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.45 -32.26 26.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.448 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -66.55 -25.17 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -43.89 -32.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.441 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.05 -34.36 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -86.85 126.84 34.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.73 -20.01 62.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.09 -31.28 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 55' ' ' ASP . 23.2 m -49.4 -44.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.547 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.9 t70 -72.05 -29.84 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.05 -45.84 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.765 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -32.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.502 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.32 -27.89 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -55.28 -35.08 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.46 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.781 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -64.52 -40.7 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' LEU . 22.7 t70 -52.46 -42.04 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.7 -31.69 68.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.3 m-20 -81.83 24.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.583 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -25.99 -50.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.54 -7.78 14.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.54 -175.42 44.57 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.851 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.05 144.65 36.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.485 -0.357 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 33' ' ' LEU . 8.3 p -93.96 138.92 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.4 t70 -36.07 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -170.64 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.716 ' O ' HG22 ' A' ' 75' ' ' VAL . 8.3 mp0 -55.83 -32.9 63.98 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.27 -22.82 0.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.411 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.45 -27.33 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.735 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.5 m -50.79 -60.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.198 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.757 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -55.04 -37.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.66 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.67 -38.19 53.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.52 -32.56 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.507 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -43.57 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.104 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.52 55.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 tt -76.5 -31.86 57.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -54.99 -59.14 5.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.74 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 84' ' ' ALA . 6.8 p -57.11 -39.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -57.07 -54.06 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.0 t -63.42 -39.09 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.23 -42.88 87.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.713 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.497 ' O ' ' OG ' ' B' ' 2' ' ' SER . 1.5 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.128 0.489 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.37 -25.94 64.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.782 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.0 mm? -74.26 -47.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.418 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -37.96 64.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -61.08 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -36.65 69.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mtt -53.06 -43.22 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.16 -39.02 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.709 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.8 -45.07 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.698 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' B' ' 75' ' ' VAL . 27.2 mt -72.25 -34.18 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.8 mt -74.28 -35.61 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.006 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.74 -57.18 6.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.261 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -52.58 -40.92 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.791 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 62.1 t80 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -61.52 -27.0 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.66 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -70.85 -98.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -119.97 145.52 46.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.09 -45.11 1.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 tttm . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.822 0.344 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -69.29 162.79 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.106 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 21.9 pttm -50.59 -44.31 56.88 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.489 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 67.7 mttm -58.62 -50.15 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.07 -55.94 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.916 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -61.08 -52.55 64.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.46 -48.73 76.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 39' ' ' THR . 80.5 mm-40 -66.49 -32.54 73.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.515 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.5 tt -49.74 -57.34 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.319 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -69.11 -56.06 8.84 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.741 -179.347 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' B' ' 42' ' ' SER . 23.7 mt-30 -48.49 -48.45 37.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 35' ' ' GLU . 48.1 p -61.64 -29.72 70.25 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.685 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.21 -51.4 7.98 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.359 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.496 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.38 28.04 9.11 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.618 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -45.87 -47.58 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.474 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.14 -36.79 34.18 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' B' ' 46' ' ' ASP . 18.6 t80 -73.97 -55.53 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.993 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.23 -13.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.458 -178.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.993 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.1 t70 -56.3 -27.84 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.36 26.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.392 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.48 -25.1 66.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.688 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -43.97 -32.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.07 -34.31 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -86.87 126.84 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.72 -20.01 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.24 30.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.557 HG23 ' N ' ' B' ' 55' ' ' ASP . 23.3 m -49.4 -44.17 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.557 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.9 t70 -72.01 -29.77 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.09 -45.76 68.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.438 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.9 OUTLIER -72.92 -32.65 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.39 -27.88 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.73 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -55.34 -35.06 64.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.36 -63.23 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.647 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -64.43 -40.79 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.647 ' N ' HD12 ' B' ' 61' ' ' LEU . 22.7 t70 -52.44 -42.05 63.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.716 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.69 -31.6 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.659 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.5 m-20 -81.99 24.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.615 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.577 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -26.02 -50.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.57 -7.72 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.504 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.59 -175.42 44.5 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.843 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.91 144.73 37.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.541 -0.329 . . . . 0.0 110.345 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.916 HG11 HD12 ' B' ' 33' ' ' LEU . 8.2 p -94.13 138.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 69' ' ' VAL . 21.5 t70 -36.06 -95.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.635 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.9 OUTLIER -170.67 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 8.3 mp0 -55.94 -32.75 64.09 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.41 -22.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -66.43 -27.42 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.74 HG23 ' H ' ' B' ' 76' ' ' VAL . 35.5 m -50.6 -60.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.244 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.74 ' H ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -55.08 -37.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.676 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.58 -38.15 53.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 t -68.6 -32.54 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.411 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.5 79.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.17 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.61 -43.51 56.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 109.943 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.626 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.5 tt -76.48 -31.85 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.198 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -55.14 -59.1 5.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.706 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.423 HG13 ' N ' ' B' ' 84' ' ' ALA . 6.9 p -57.1 -39.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.627 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -57.01 -54.1 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.35 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.33 -42.86 87.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' A' ' 5' ' ' GLU . 26.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.889 0.376 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -72.36 -25.88 61.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.7 mm? -74.34 -48.13 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.447 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.24 -31.78 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m -68.69 -44.62 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.257 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.04 -33.82 68.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.97 -43.29 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -72.27 -37.15 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.734 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.728 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.9 m -54.24 -49.32 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.43 -37.57 87.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 83.7 mt -74.29 -37.67 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -64.79 -56.96 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.496 HG21 HD21 ' A' ' 36' ' ' LEU . 9.7 p -51.84 -40.16 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.791 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.642 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 81.4 t80 -68.16 -46.65 70.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.347 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -57.45 -32.31 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.56 84.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.49 -99.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -120.11 127.31 52.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 tttp . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.465 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.442 ' OG ' ' OE2' ' A' ' 32' ' ' GLU . 12.3 p -72.22 168.07 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.438 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 18.6 pttp -50.7 -45.19 58.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.703 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 26.1 mtpt -61.28 -47.29 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.04 8.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HG11 ' A' ' 69' ' ' VAL . 2.7 tt -63.15 -53.94 45.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HE3' HE22 ' A' ' 38' ' ' GLN . 16.8 tttp -50.82 -49.31 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 39' ' ' THR . 80.4 mm-40 -65.77 -32.63 74.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.329 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.8 -57.54 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.486 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.32 -53.78 11.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.073 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' SER . 96.7 mt-30 -48.19 -44.07 32.4 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.668 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 35' ' ' GLU . 40.0 p -65.06 -29.29 70.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.52 -51.44 8.26 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.72 27.97 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.186 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.0 -48.73 16.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.18 -35.58 37.73 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.6 t80 -73.96 -56.31 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.017 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.16 -14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.335 -178.763 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.017 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.2 t70 -58.42 -26.86 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.869 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.77 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.73 -35.04 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -89.35 126.93 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.618 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 55.8 p30 -70.87 -19.8 62.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.85 -32.53 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 55' ' ' ASP . 17.1 m -52.59 -43.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.3 t70 -68.75 -29.61 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -49.76 -46.88 51.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.88 -33.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.758 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.32 -27.7 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.606 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.78 -31.08 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.9 -63.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -67.26 -35.89 80.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' N ' HD12 ' A' ' 61' ' ' LEU . 46.0 t0 -57.22 -52.02 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.689 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -58.13 -26.1 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . 56.9 m-20 -81.37 24.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.13 -48.54 0.1 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.7 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 110.355 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.28 -175.32 44.95 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.68 -174.84 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.853 HG11 HD12 ' A' ' 33' ' ' LEU . 7.1 p -137.63 141.78 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -42.38 -90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.699 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -174.09 -57.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.463 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.698 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.6 mp0 -71.24 -29.29 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -48.08 -22.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.657 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -68.0 -27.03 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 30.8 m -50.79 -60.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.154 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -54.52 -38.7 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.74 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.95 -33.17 36.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.641 -0.424 . . . . 0.0 109.89 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.3 -36.51 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -50.97 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.94 -31.61 18.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.9 tt -76.75 -45.44 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.246 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.599 ' OG1' HD11 ' B' ' 12' ' ' ILE . 0.7 OUTLIER -71.91 -47.43 52.65 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.25 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' NE2' ' B' ' 72' ' ' GLN . 8.1 p -51.47 -40.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.466 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -69.43 -35.14 75.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.302 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.9 -50.52 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.44 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -55.83 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.484 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 96.1 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.455 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' CD ' ' B' ' 5' ' ' GLU . 26.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.363 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -72.37 -25.85 61.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.805 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -74.33 -48.13 30.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.15 -31.91 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -68.61 -44.6 73.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.25 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.18 -33.69 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.592 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.95 -43.39 63.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.505 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.21 -37.19 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.74 HG21 ' HB2' ' A' ' 7' ' ' ALA . 17.8 m -54.21 -49.39 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.751 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.39 -37.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.599 HD11 ' OG1' ' A' ' 82' ' ' THR . 83.9 mt -74.3 -37.65 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -64.83 -56.91 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.502 HG21 HD21 ' B' ' 36' ' ' LEU . 9.6 p -51.82 -40.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.651 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 81.4 t80 -68.22 -46.65 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -57.35 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.5 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.46 -99.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -120.15 127.28 52.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 tttp . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.352 . . . . 0.0 110.465 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.733 0.302 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.468 ' OG ' ' OE2' ' B' ' 32' ' ' GLU . 12.2 p -72.1 168.13 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.419 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.522 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 18.8 pttp -50.87 -45.06 59.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.522 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 26.0 mtpt -61.35 -47.28 86.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.1 8.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.672 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.863 HD12 HG11 ' B' ' 69' ' ' VAL . 2.7 tt -63.03 -54.03 44.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HE3' HE22 ' B' ' 38' ' ' GLN . 16.7 tttp -50.74 -49.36 58.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.528 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -65.76 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.273 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.511 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.77 -57.53 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.532 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.437 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.37 -53.6 11.85 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.124 -178.803 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 96.6 mt-30 -48.33 -44.05 33.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.636 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 35' ' ' GLU . 40.0 p -65.03 -29.3 70.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.36 8.33 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.855 179.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.48 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.76 27.96 9.05 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.182 -179.513 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.05 -48.66 16.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.577 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.48 37.65 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 21.7 t80 -74.07 -56.22 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.023 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.11 -14.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.43 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.023 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.2 t70 -58.35 -26.96 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.967 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -35.63 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.531 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.54 -26.06 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.68 -35.09 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -89.32 127.02 35.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 55.8 p30 -70.96 -19.76 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.77 -32.58 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' B' ' 55' ' ' ASP . 17.0 m -52.53 -43.03 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.3 t70 -68.89 -29.46 67.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -49.84 -46.9 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -32.99 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.784 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.5 -27.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -52.77 -31.04 36.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.694 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.02 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -67.27 -35.86 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' N ' HD12 ' B' ' 61' ' ' LEU . 45.9 t0 -57.28 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -58.01 -26.16 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 67' ' ' GLY . 56.6 m-20 -81.27 24.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.27 -48.45 0.1 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.65 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.372 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.38 -175.34 44.8 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.75 -174.85 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 110.241 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.863 HG11 HD12 ' B' ' 33' ' ' LEU . 7.1 p -137.71 141.83 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -42.38 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.704 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -174.07 -58.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.7 mp0 -71.11 -29.27 65.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.66 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -48.26 -22.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.547 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -68.05 -27.05 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' B' ' 76' ' ' VAL . 30.5 m -50.79 -59.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.286 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.2 p -54.42 -38.79 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.726 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.93 -33.21 36.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.25 -36.57 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.99 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.762 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.9 -31.61 18.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 0.0 110.401 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.9 tt -76.83 -45.35 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.26 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -71.98 -47.41 52.3 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.224 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.2 p -51.47 -40.67 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.479 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -69.43 -35.21 75.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.79 -50.61 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.423 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.89 -37.47 68.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 96.1 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 10' ' ' THR . 65.7 mm-40 -72.06 -27.75 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.4 mm? -74.24 -48.27 29.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -31.85 27.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -66.35 -44.16 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.01 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.79 67.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 mtp -51.81 -43.21 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.21 -38.31 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.835 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -53.88 -45.59 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.725 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -71.03 -35.12 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 90.8 mt -73.98 -39.0 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.703 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.97 -35.19 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.6 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.67 -33.86 73.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.18 89.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -75.17 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.1 t -120.24 136.65 54.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.06 -45.08 0.65 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.318 . . . . 0.0 110.634 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.747 0.308 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.48 164.33 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.313 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 22.0 pttt -50.62 -48.09 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.993 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 53.4 mttm -57.91 -50.34 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.09 -45.36 75.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.957 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.5 tt -75.22 -56.36 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.714 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' HE22 ' A' ' 38' ' ' GLN . 76.8 tttt -49.19 -41.37 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 39' ' ' THR . 63.8 mm-40 -72.05 -31.94 66.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.6 tt -48.75 -57.34 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.24 -54.11 10.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.976 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.603 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.6 mt-30 -48.51 -44.61 36.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 35' ' ' GLU . 41.9 p -63.95 -29.34 70.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.06 -50.47 9.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.415 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.8 8.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.017 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -46.47 -50.43 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.714 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.08 -33.33 45.62 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 26.4 t80 -74.19 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.2 -15.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.324 -178.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.3 t0 -55.49 -27.04 46.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.065 0.459 . . . . 0.0 109.856 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.22 -37.76 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ALA . 27.1 mt-30 -69.32 -26.46 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.78 -34.48 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 62.4 t0 -60.49 -33.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -85.99 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 54.0 p30 -70.95 -19.47 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.56 -29.35 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' N ' ' A' ' 55' ' ' ASP . 13.4 m -55.55 -45.63 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 54' ' ' VAL . 22.9 t0 -65.76 -29.38 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.38 50.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.3 -33.03 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.739 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.8 mmt -55.78 -28.22 54.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.444 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.12 -30.8 60.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.352 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.88 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.01 -31.29 70.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.0 t70 -66.02 -53.26 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 84.8 tt0 -39.95 -61.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 67' ' ' GLY . 91.9 m-20 -93.46 24.79 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -37.87 -51.04 2.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.97 -25.82 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.592 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -91.53 -160.26 36.16 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.71 -174.9 4.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.321 -0.439 . . . . 0.0 109.958 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.429 HG23 ' OE1' ' A' ' 73' ' ' GLU . 5.6 p -149.11 150.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.741 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' VAL . 40.9 t0 -42.45 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 t80 -179.44 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -50.67 -38.28 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' HG23 ' A' ' 69' ' ' VAL . 93.5 mt-10 -48.41 -22.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.362 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.8 m -50.77 -59.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.805 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -54.26 -38.91 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.769 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.8 -32.87 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.473 HG21 HD12 ' B' ' 4' ' ' LEU . 39.7 t -70.97 -35.44 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.225 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -50.59 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.944 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.93 -31.2 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.413 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.86 -48.56 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.57 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.0 OUTLIER -69.64 -46.88 65.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.281 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.493 ' N ' ' CG2' ' A' ' 82' ' ' THR . 6.1 p -52.87 -40.36 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.601 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.82 -34.0 76.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -74.02 -40.87 62.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.565 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.42 -39.38 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.3 m120 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 10' ' ' THR . 65.5 mm-40 -72.05 -27.69 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.922 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.794 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.4 mm? -74.27 -48.31 29.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -31.91 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -66.21 -44.21 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.1 -32.67 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.271 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 19.0 mtp -51.9 -43.25 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.22 -38.2 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.0 m -53.9 -45.66 71.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.9 -35.11 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.57 HD11 ' OG1' ' A' ' 82' ' ' THR . 90.6 mt -74.06 -38.89 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.07 -35.14 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.7 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.642 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.57 -33.89 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.692 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.27 89.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -75.1 -100.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.643 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.2 t -120.25 136.69 54.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -45.12 0.65 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.747 0.308 . . . . 0.0 110.68 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.44 164.3 11.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.559 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 22.1 pttt -50.56 -48.14 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.559 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 53.5 mttm -57.84 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.07 -45.31 75.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.6 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.5 tt -75.31 -56.26 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HE2' HE22 ' B' ' 38' ' ' GLN . 77.0 tttt -49.2 -41.32 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.444 . . . . 0.0 110.315 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' B' ' 39' ' ' THR . 63.8 mm-40 -72.15 -31.86 66.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.774 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.5 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.0 -57.22 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.369 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.46 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.21 -54.19 10.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.89 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.6 mt-30 -48.48 -44.63 35.96 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.426 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' B' ' 35' ' ' GLU . 42.0 p -63.93 -29.35 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.0 -50.48 9.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.458 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.77 8.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.932 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.596 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -46.56 -50.39 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.05 -33.32 45.75 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.432 ' C ' ' N ' ' B' ' 46' ' ' ASP . 26.8 t80 -74.22 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.14 -15.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.382 -178.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' B' ' 45' ' ' LEU . 10.4 t0 -55.51 -27.03 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 109.877 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.19 -37.89 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' B' ' 51' ' ' ALA . 27.2 mt-30 -69.18 -26.48 64.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.747 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -43.77 -34.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.4 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 62.3 t0 -60.57 -33.5 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.486 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -85.97 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 54.0 p30 -70.93 -19.44 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.584 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.66 -29.36 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.597 HG23 ' N ' ' B' ' 55' ' ' ASP . 13.3 m -55.59 -45.6 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.419 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.597 ' N ' HG23 ' B' ' 54' ' ' VAL . 22.9 t0 -65.73 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.643 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.31 50.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -33.02 32.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.733 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.7 -28.18 54.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.357 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -55.18 -30.87 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.34 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.94 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.05 -31.33 70.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 24.0 t70 -65.97 -53.28 40.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 84.8 tt0 -39.86 -61.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . 91.9 m-20 -93.51 24.77 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.229 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.93 -51.05 2.07 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.91 -25.85 65.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.614 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.52 -160.15 36.07 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.75 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.403 -0.398 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.431 HG23 ' OE1' ' B' ' 73' ' ' GLU . 5.7 p -149.12 150.98 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 40.8 t0 -42.54 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.368 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 22.1 t80 -179.51 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.634 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -50.73 -38.22 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.637 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' B' ' 69' ' ' VAL . 93.6 mt-10 -48.45 -22.71 0.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -68.36 -26.31 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.61 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.761 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.7 m -50.46 -59.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.873 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.761 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -54.34 -38.86 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.675 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -51.87 -32.84 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 4' ' ' LEU . 39.7 t -70.94 -35.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.266 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.53 -50.57 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.2 16.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.396 . . . . 0.0 110.488 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.639 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.91 -48.51 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -69.69 -46.82 65.16 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.291 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.506 ' N ' ' CG2' ' B' ' 82' ' ' THR . 6.0 p -52.91 -40.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.91 -34.03 77.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.98 -40.83 62.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -60.5 -39.39 87.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 m120 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.721 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.981 0.42 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.511 ' O ' ' CG2' ' B' ' 10' ' ' THR . 72.5 mm-40 -72.29 -25.12 61.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.791 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.8 mm? -74.52 -42.01 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -36.37 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.287 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 m -60.07 -44.19 94.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.1 -37.93 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 mtt -55.17 -46.0 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -69.7 -36.05 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.642 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -57.1 -46.37 82.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CG1' ' A' ' 75' ' ' VAL . 25.9 mt -72.18 -38.31 69.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.44 -32.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -64.71 -57.22 9.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.7 p -58.81 -39.91 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.789 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.1 t80 -64.23 -47.43 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 5.6 t-80 -63.16 -31.2 72.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.94 73.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -67.31 -97.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -120.02 133.0 55.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.468 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.84 -45.16 3.19 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 tttt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.576 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.331 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.84 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.396 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 16.8 pttp -50.59 -46.11 57.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.505 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.1 mtpt -58.36 -50.24 74.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.635 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -51.3 -37.76 49.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.19 -56.6 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.477 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.76 -37.96 71.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.243 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' OG1' ' A' ' 39' ' ' THR . 71.2 mm-40 -72.0 -33.58 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.1 tt -50.79 -58.46 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.466 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.51 -50.1 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.83 -179.224 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 90.2 mt-30 -48.48 -49.48 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.914 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.0 p -62.48 -29.84 70.82 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.742 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -82.29 -52.23 7.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.93 28.31 7.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.743 0.306 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -48.95 -50.12 37.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.344 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 -38.99 31.12 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.026 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 46' ' ' ASP . 27.3 t80 -67.3 -60.1 2.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.059 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.37 -16.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.325 -179.317 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.059 ' N ' HD23 ' A' ' 45' ' ' LEU . 9.5 t0 -57.42 -26.74 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.007 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.13 -21.48 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.524 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ALA . 65.5 mt-30 -81.36 -21.77 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.58 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -87.65 128.83 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -70.99 -19.63 62.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.54 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 55' ' ' ASP . 4.9 m -64.37 -42.42 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.47 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.593 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.0 49.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.991 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -72.28 -32.65 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.561 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.46 -27.89 64.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -53.04 -31.56 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.18 -63.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.719 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -66.72 -36.82 83.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' A' ' 61' ' ' LEU . 33.0 t70 -53.29 -51.77 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.646 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -60.88 -25.02 66.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' GLY . 90.4 m-20 -82.52 24.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' ' CE ' ' A' ' 30' ' ' LYS . . . -29.28 -49.94 0.12 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.77 2.63 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.759 0.314 . . . . 0.0 110.477 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.29 -175.6 44.89 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.687 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.56 143.78 20.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG11 HD12 ' A' ' 33' ' ' LEU . 5.2 p -95.37 152.51 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' VAL . 12.7 t70 -59.54 -73.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.5 OUTLIER 172.49 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.14 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -61.87 -28.48 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 78.5 mt-10 -63.18 -23.41 67.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.64 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.12 -27.6 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.766 0.317 . . . . 0.0 111.072 -179.016 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 72' ' ' GLN . 22.6 m -51.49 -59.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.714 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.748 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.2 p -51.97 -36.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.784 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.95 -39.99 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.571 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 96.9 t -63.53 -33.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.881 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -57.71 -47.61 81.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -44.98 57.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.115 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tt -76.18 -31.63 58.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.912 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 15.1 m -56.89 -61.17 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.7 p -56.89 -42.04 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.785 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -55.25 -41.83 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.09 -39.42 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -57.77 -42.59 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 72.6 mm-40 -72.39 -25.15 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.792 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.8 mm? -74.44 -42.0 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.95 -36.29 78.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.325 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.2 m -60.23 -44.09 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.642 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.12 -37.95 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.13 -46.01 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.68 -36.13 75.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -57.06 -46.3 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.552 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.9 mt -72.23 -38.35 68.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.33 -32.16 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.67 -57.13 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.5 p -58.9 -39.87 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -64.26 -47.42 79.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.569 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 5.7 t-80 -63.17 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.12 -37.03 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -67.27 -98.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -119.98 133.04 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.88 -45.19 3.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 tttt . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.954 0.407 . . . . 0.0 110.624 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.708 0.289 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.92 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.389 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 16.8 pttp -50.56 -46.16 57.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.577 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 50.1 mtpt -58.39 -50.24 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.67 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.25 -37.77 48.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -75.18 -56.76 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.67 -38.01 71.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.201 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' B' ' 39' ' ' THR . 71.3 mm-40 -72.02 -33.57 68.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.412 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -50.79 -58.4 6.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.527 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.47 -50.16 28.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.864 -179.286 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 90.2 mt-30 -48.36 -49.56 34.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.983 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.2 p -62.31 -29.93 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.852 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.16 -52.27 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 179.284 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -105.87 28.23 7.76 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -49.1 -50.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.311 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.49 -39.0 31.48 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.053 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.046 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.42 -16.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.272 -179.304 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.046 ' N ' HD23 ' B' ' 45' ' ' LEU . 9.5 t0 -57.5 -26.75 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.43 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' B' ' 51' ' ' ALA . 65.6 mt-30 -81.49 -21.7 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.56 -34.06 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -87.71 128.83 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -71.02 -19.61 62.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -26.58 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 55' ' ' ASP . 4.9 m -64.4 -42.37 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.521 ' N ' HG23 ' B' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.46 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.01 49.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.962 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.7 OUTLIER -72.27 -32.74 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.54 -179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mmt -58.45 -27.91 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -53.13 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.793 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.23 -63.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.713 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -66.71 -36.79 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' B' ' 61' ' ' LEU . 33.0 t70 -53.31 -51.72 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.89 -25.11 66.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . 90.3 m-20 -82.47 24.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.531 ' O ' ' CE ' ' B' ' 30' ' ' LYS . . . -29.4 -49.85 0.12 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.72 2.56 18.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.22 -175.65 44.99 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.55 143.86 20.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.642 HG11 HD12 ' B' ' 33' ' ' LEU . 5.1 p -95.42 152.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.46 -73.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.5 OUTLIER 172.44 -61.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -61.83 -28.57 69.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -63.1 -23.48 67.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.644 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.539 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.11 -27.58 69.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.689 0.28 . . . . 0.0 110.994 -178.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' B' ' 72' ' ' GLN . 22.6 m -51.56 -59.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.689 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.2 p -51.96 -36.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.773 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 tp -51.9 -40.08 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.549 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' B' ' 82' ' ' THR . 97.1 t -63.43 -33.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.912 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -57.66 -47.69 81.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.03 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.196 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.519 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.1 tt -76.21 -31.63 58.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.895 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 15.3 m -56.94 -61.11 2.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.779 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 84' ' ' ALA . 10.7 p -56.88 -42.08 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -55.31 -41.79 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.15 -39.45 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.64 -42.66 83.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.702 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.872 0.368 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.1 -26.57 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.849 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.5 mm? -74.5 -47.99 29.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.261 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -33.46 32.77 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -66.23 -43.77 85.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.826 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.3 -36.52 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.98 -42.35 62.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.425 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.39 -38.23 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.73 HG21 ' HB2' ' B' ' 7' ' ' ALA . 16.4 m -53.91 -44.88 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.0 mt -72.06 -36.76 69.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' B' ' 82' ' ' THR . 81.6 mt -74.38 -33.38 33.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.779 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -71.26 -57.27 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -52.3 -36.68 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.547 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 14' ' ' VAL . 71.2 t80 -72.04 -41.79 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -59.01 -36.6 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.09 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.33 -100.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.2 m -120.14 135.76 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.99 -45.08 0.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.501 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.461 0.114 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t -70.85 167.08 19.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 4.4 pttm -50.38 -47.54 56.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 60.7 mttm -56.05 -50.39 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.179 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 29' ' ' SER . 34.7 mt-10 -48.56 -56.08 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.686 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.871 HD12 HG11 ' A' ' 69' ' ' VAL . 2.2 tt -67.76 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.236 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HZ3' ' CD ' ' A' ' 38' ' ' GLN . 60.9 tttm -50.0 -48.04 52.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 39' ' ' THR . 69.0 mm-40 -67.9 -32.17 72.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.203 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.7 tt -49.24 -57.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.436 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.5 -52.53 15.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.021 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 26.5 mt-30 -48.58 -45.31 37.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.696 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 35' ' ' GLU . 35.6 p -64.57 -29.21 70.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.43 -51.37 8.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.876 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.94 9.07 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.143 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.45 21.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.622 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.21 -36.23 35.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.1 t80 -73.12 -56.99 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.005 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.388 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.005 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.4 t70 -56.69 -29.38 62.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.89 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.24 -34.11 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.3 mt-30 -75.03 -29.32 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.99 -35.41 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.09 -29.63 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.95 131.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.84 -19.84 62.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -31.9 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 55' ' ' ASP . 11.4 m -56.0 -44.07 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 54' ' ' VAL . 25.3 t0 -66.55 -29.35 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.651 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.63 -47.89 49.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.46 -32.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.811 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.32 -27.87 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.14 -30.89 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.52 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -68.67 -38.4 80.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.678 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' ' 61' ' ' LEU . 27.3 t70 -60.11 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -40.0 -61.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.805 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.6 m-20 -87.4 24.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.4 -50.16 5.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.97 62.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.98 -166.46 40.77 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.65 167.13 20.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.051 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.871 HG11 HD12 ' A' ' 33' ' ' LEU . 7.3 p -121.73 143.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 69' ' ' VAL . 32.1 t70 -43.66 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.671 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -167.17 -70.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.376 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.671 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.88 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.784 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -48.73 -23.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.743 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -72.97 -26.15 61.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.1 m -49.69 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.288 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.733 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -57.69 -38.34 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.609 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.21 -33.0 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.19 -35.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -53.14 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.978 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.66 -30.05 12.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.04 -45.88 25.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.31 -47.09 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.308 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.7 p -54.25 -38.9 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.679 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.68 -31.89 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.45 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.48 -48.91 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.88 -44.09 77.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 3.9 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.463 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 70.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.827 0.346 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.09 -26.51 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.865 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.5 mm? -74.54 -47.92 29.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.275 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.463 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.67 -33.44 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -66.29 -43.62 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.874 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.33 -36.54 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.93 -42.52 62.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.25 -38.26 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.734 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.3 m -53.99 -44.79 71.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.649 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.469 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.7 mt -72.07 -36.81 69.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.481 HD11 ' OG1' ' A' ' 82' ' ' THR . 82.0 mt -74.36 -33.4 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -71.2 -57.3 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -52.37 -36.52 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.598 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.418 ' N ' HG13 ' B' ' 14' ' ' VAL . 70.4 t80 -72.18 -41.72 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.497 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -59.06 -36.62 75.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.16 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.29 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -120.11 135.73 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.93 -45.09 0.65 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 tttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.736 0.303 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.456 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 14.1 t -70.93 167.04 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.467 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 4.4 pttm -50.29 -47.53 55.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.981 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 60.6 mttm -56.15 -50.28 71.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.2 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 29' ' ' SER . 34.7 mt-10 -48.59 -56.1 9.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.676 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.901 HD12 HG11 ' B' ' 69' ' ' VAL . 2.2 tt -67.73 -56.45 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.248 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 60.9 tttm -49.93 -48.04 52.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.047 0.451 . . . . 0.0 110.669 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' B' ' 39' ' ' THR . 69.0 mm-40 -67.85 -32.22 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.505 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.7 tt -49.2 -57.68 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.451 -178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.435 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.49 -52.47 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.045 -178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 26.5 mt-30 -48.6 -45.43 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 35' ' ' GLU . 35.6 p -64.55 -29.12 70.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.3 8.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.832 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.88 9.13 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.197 -179.511 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.5 21.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.533 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.31 -36.09 35.66 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' B' ' 46' ' ' ASP . 20.9 t80 -73.21 -56.89 4.49 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.006 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.304 -178.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.006 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.4 t70 -56.73 -29.32 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.879 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.26 -34.0 43.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' B' ' 51' ' ' ALA . 98.3 mt-30 -75.13 -29.25 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.94 -35.48 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -29.68 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.463 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -89.09 131.07 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.573 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.8 -19.86 62.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.97 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.744 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 55' ' ' ASP . 11.3 m -56.03 -44.04 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.504 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.569 ' N ' HG23 ' B' ' 54' ' ' VAL . 25.0 t0 -66.5 -29.46 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.661 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.65 -47.8 49.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -32.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.795 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.29 -27.86 49.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.17 -30.87 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.49 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -68.73 -38.36 80.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.745 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.531 ' N ' HD12 ' B' ' 61' ' ' LEU . 27.2 t70 -60.08 -63.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -39.96 -61.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.788 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.7 m-20 -87.41 24.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.42 -50.19 5.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.99 62.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.36 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.01 -166.47 40.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.63 167.01 20.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.442 -0.379 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.901 HG11 HD12 ' B' ' 33' ' ' LEU . 7.3 p -121.64 143.63 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 69' ' ' VAL . 32.1 t70 -43.7 -97.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -167.12 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.302 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.93 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -48.63 -23.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -72.98 -25.93 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.738 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.3 m -49.91 -57.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.124 -0.631 . . . . 0.0 111.281 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.738 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -57.72 -38.25 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.619 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.24 -32.97 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.28 -35.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -53.03 32.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.02 12.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.99 0.424 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.637 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.03 -45.93 25.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -69.37 -47.0 65.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.329 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.497 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.7 p -54.17 -38.98 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -66.72 -31.88 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.421 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.0 t -73.56 -48.89 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.9 -44.02 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.668 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 3.9 m120 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.27 -23.63 62.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.763 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -72.94 -51.3 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.131 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -32.02 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -65.19 -46.09 82.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.798 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.13 -33.14 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.07 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.813 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.32 -37.63 68.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.827 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.5 m -54.24 -49.76 68.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.884 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 75' ' ' VAL . 60.2 mt -67.48 -32.0 72.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.92 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.666 HD11 ' OG1' ' B' ' 82' ' ' THR . 78.0 mt -74.39 -49.16 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -54.5 -57.17 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.6 p -51.85 -37.14 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 64.5 t80 -72.28 -55.39 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -48.82 -28.07 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.626 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.11 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -75.12 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.667 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.44 114.87 22.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.702 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -3.31 21.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.314 . . . . 0.0 110.448 -179.733 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.732 0.301 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 163.77 23.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.328 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 17.1 pttp -50.65 -45.05 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 22.1 mtpp -59.08 -50.09 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.29 -47.72 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.628 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.01 -56.05 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HE2' HE22 ' A' ' 38' ' ' GLN . 79.0 tttt -49.98 -41.59 47.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.204 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 39' ' ' THR . 77.0 mm-40 -72.45 -32.79 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.306 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -49.81 -57.33 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.66 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.73 -55.81 10.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.845 -179.091 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.5 mt-30 -48.24 -48.65 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -60.58 -29.99 69.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.57 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -82.34 -52.46 6.9 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.257 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.33 27.98 8.79 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.958 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -48.07 -47.32 34.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.687 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.25 -35.07 38.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.9 t80 -74.09 -56.78 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.003 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.04 -12.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.311 -178.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.003 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.4 t0 -57.82 -29.26 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.831 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.7 -27.25 34.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.527 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ALA . 96.1 mt-30 -72.18 -22.0 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -43.98 -26.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 67.7 t0 -64.7 -35.43 81.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.642 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -88.11 123.47 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -69.98 -19.75 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.76 -27.66 12.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.1 m -53.26 -43.02 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 54' ' ' VAL . 3.3 t70 -72.24 -29.73 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.26 -47.36 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -72.05 -38.51 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.4 mmt -51.0 -27.96 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.524 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -55.69 -32.03 62.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.46 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.91 -37.39 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' ' 61' ' ' LEU . 42.9 t0 -53.33 -50.56 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.34 -31.09 20.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . 63.2 m-20 -83.0 24.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.0 -46.45 0.07 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -110.73 -8.53 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -175.01 44.82 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.879 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.81 -175.0 3.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.433 -0.383 . . . . 0.0 110.225 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.752 HG11 HD12 ' A' ' 33' ' ' LEU . 9.1 p -138.78 137.82 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.376 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' VAL . 51.3 t0 -35.43 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -176.73 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.134 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.696 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.7 mp0 -50.78 -34.86 29.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.208 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.18 -26.07 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.501 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 29.4 m -57.81 -60.22 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.49 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.4 p -53.46 -38.75 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 110.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.59 -38.27 53.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.27 -32.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.214 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.08 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.095 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.38 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.547 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.0 -42.08 40.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.678 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.2 t -72.08 -47.67 49.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.251 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' N ' ' CG2' ' A' ' 82' ' ' THR . 8.6 p -53.14 -37.54 27.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -68.79 -39.84 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.295 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.5 t -73.64 -41.57 62.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -55.95 -36.68 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 16.7 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.44 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.354 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.42 -23.57 61.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.762 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -72.95 -51.4 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -32.08 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -65.25 -45.93 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -33.13 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.16 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.789 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.21 -37.73 69.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.798 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.5 m -54.09 -49.94 67.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' B' ' 75' ' ' VAL . 60.3 mt -67.4 -31.99 72.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.678 HD11 ' OG1' ' A' ' 82' ' ' THR . 77.5 mt -74.4 -49.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.46 -57.14 12.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.6 p -51.97 -37.13 20.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 64.4 t80 -72.25 -55.38 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -48.84 -28.07 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.16 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -74.98 -100.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.761 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.47 114.95 22.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.28 -3.21 21.24 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 110.402 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.726 0.298 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -69.08 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.32 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 17.1 pttp -50.62 -45.08 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 22.2 mtpp -59.1 -50.05 75.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -48.27 -47.69 36.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.749 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -73.02 -56.1 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HE2' HE22 ' B' ' 38' ' ' GLN . 79.0 tttt -49.93 -41.57 46.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.655 ' O ' HG23 ' B' ' 39' ' ' THR . 77.1 mm-40 -72.47 -32.79 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.337 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.519 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.85 -57.3 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.652 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.444 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.64 -55.83 10.2 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.86 -179.158 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.5 mt-30 -48.3 -48.64 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.7 p -60.55 -29.99 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.685 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -82.29 -52.41 6.96 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.364 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.4 28.03 8.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.988 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.617 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -48.05 -47.32 33.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.06 38.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.6 t80 -74.07 -56.93 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.992 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -49.9 -12.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.992 ' N ' HD23 ' B' ' 45' ' ' LEU . 13.5 t0 -57.73 -29.3 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.851 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -27.35 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 51' ' ' ALA . 96.1 mt-30 -72.07 -22.08 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -44.07 -26.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 67.8 t0 -64.82 -35.39 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.469 ' O ' HG13 ' B' ' 54' ' ' VAL . . . -88.12 123.39 32.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.83 -19.79 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.62 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.9 m -53.19 -43.11 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.552 ' N ' HG23 ' B' ' 54' ' ' VAL . 3.3 t70 -72.17 -29.68 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.29 -47.35 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -38.41 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.537 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -51.14 -27.86 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -55.75 -31.97 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.45 -63.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.685 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -66.03 -37.33 85.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.525 ' N ' HD12 ' B' ' 61' ' ' LEU . 43.3 t0 -53.27 -50.6 64.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.34 -30.98 20.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.487 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' B' ' 67' ' ' GLY . 63.1 m-20 -83.1 24.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.497 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.01 -46.36 0.07 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -110.83 -8.52 14.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.41 -175.03 44.81 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.228 -0.51 . . . . 0.0 111.909 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.8 -175.04 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.416 -0.392 . . . . 0.0 110.219 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 HD12 ' B' ' 33' ' ' LEU . 9.1 p -138.76 137.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 69' ' ' VAL . 51.4 t0 -35.34 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -176.6 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.132 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.688 ' O ' HG22 ' B' ' 75' ' ' VAL . 2.7 mp0 -50.71 -35.01 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.263 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.15 -22.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.724 0.297 . . . . 0.0 111.274 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -64.05 -26.17 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.548 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.759 HG23 ' N ' ' B' ' 76' ' ' VAL . 29.1 m -57.82 -60.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.374 -0.531 . . . . 0.0 111.518 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.759 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.4 p -53.59 -38.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.574 0.226 . . . . 0.0 110.928 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.54 -38.27 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -32.85 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.155 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.9 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.098 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.44 72.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.653 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.01 -42.02 40.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.666 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.2 t -72.04 -47.8 49.05 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.181 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.516 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.5 p -53.08 -37.57 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.419 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -68.94 -39.74 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.253 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.6 t -73.6 -41.49 62.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -56.03 -36.6 68.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 17.2 m-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.457 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.884 0.374 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' B' ' 10' ' ' THR . 78.5 mm-40 -67.46 -25.65 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -74.36 -50.67 17.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.168 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -37.58 55.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.14 -34.47 68.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.75 -40.76 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -71.78 -40.47 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.676 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -54.38 -53.06 59.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 75' ' ' VAL . 32.7 mt -64.46 -39.13 93.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.55 -37.19 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.657 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.68 -53.77 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.68 -36.69 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.18 -57.14 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.646 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.92 -29.84 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -74.87 -100.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -120.4 115.08 22.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -1.67 22.06 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.274 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.75 159.49 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -50.45 -35.58 29.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.658 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 62.3 mttp -51.7 -40.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.37 -48.64 19.21 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -65.04 -56.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.989 -179.124 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.84 -43.23 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.475 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 31' ' ' LYS . 68.7 mm-40 -72.15 -31.99 66.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.2 tt -48.93 -57.24 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -69.59 -55.35 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.321 -179.624 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.62 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.2 mt-30 -48.43 -48.83 37.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 35' ' ' GLU . 43.1 p -61.47 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.612 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.11 -52.23 7.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.24 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.89 28.36 8.53 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.781 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.62 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.46 -51.36 15.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.47 -32.87 49.84 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.746 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.6 t80 -72.69 -60.59 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.461 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.43 -16.23 0.54 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.123 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.6 t70 -56.53 -30.29 62.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.065 0.459 . . . . 0.0 109.787 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.96 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.295 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 51' ' ' ALA . 89.5 mt-30 -83.96 -23.29 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.0 -29.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.37 -28.47 69.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.413 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.05 131.58 37.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -71.23 -19.57 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.55 -32.24 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.9 m -53.59 -47.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.624 ' N ' HG23 ' A' ' 54' ' ' VAL . 13.8 t0 -66.36 -29.19 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.746 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.44 -45.55 46.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -75.05 -32.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.436 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.68 62.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.397 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -56.4 -30.86 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.264 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.9 -63.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.69 -38.15 88.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.498 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.561 ' N ' HD12 ' A' ' 61' ' ' LEU . 24.2 t70 -58.49 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 81.8 tt0 -39.96 -61.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.509 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 67' ' ' GLY . 84.2 m-20 -101.5 24.61 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.217 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -59.83 -22.34 62.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.788 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -90.65 -170.75 43.48 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.43 134.72 36.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.419 -0.391 . . . . 0.0 110.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 70' ' ' ASP . 13.7 p -105.16 157.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 20.6 t0 -47.83 -103.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.529 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 28.4 t80 -163.59 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.9 mp0 -50.9 -40.96 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -47.98 -22.6 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.161 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.755 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.72 -26.01 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 28.6 m -50.29 -60.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.6 p -55.12 -37.25 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.772 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.76 -37.61 52.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.16 -32.55 54.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -65.06 -41.85 94.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.105 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.73 -44.51 58.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.108 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.2 tt -76.49 -31.71 57.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -55.41 -62.15 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 5.2 p -55.2 -39.51 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.57 -36.91 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -72.41 -41.03 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.71 -45.28 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 m120 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.867 0.365 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 78.5 mm-40 -67.5 -25.66 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.839 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.6 mm? -74.34 -50.53 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.269 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -37.55 56.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.1 -42.46 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.14 -34.32 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.682 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.89 -40.68 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.81 -40.52 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.1 m -54.31 -53.08 58.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' B' ' 75' ' ' VAL . 32.6 mt -64.51 -39.04 93.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.59 -37.22 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.685 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -58.59 -53.86 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.68 -36.56 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.718 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.34 -57.07 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.07 91.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -75.06 -100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -120.47 115.14 22.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.15 -1.72 22.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.31 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.68 159.47 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -50.4 -35.65 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' B' ' 35' ' ' GLU . 62.3 mttp -51.65 -40.31 59.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.277 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.32 -48.74 19.0 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.436 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' B' ' 74' ' ' TYR . 0.5 OUTLIER -64.87 -56.59 12.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.993 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.83 -43.26 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.431 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 31' ' ' LYS . 68.6 mm-40 -72.14 -31.98 66.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.513 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -48.97 -57.15 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.108 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.541 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -69.55 -55.37 10.34 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.323 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.3 mt-30 -48.47 -48.81 37.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 35' ' ' GLU . 43.4 p -61.48 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.647 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.08 -52.27 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.234 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.8 28.3 8.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.779 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.627 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.52 -51.22 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -32.91 49.69 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.792 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.1 t80 -72.84 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.442 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 1.043 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -51.27 -16.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.24 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 1.043 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.6 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 109.799 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.47 -21.81 38.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.311 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' B' ' 51' ' ' ALA . 89.3 mt-30 -84.08 -23.28 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.662 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -43.95 -29.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.36 -28.45 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.426 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -93.09 131.66 37.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.624 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.3 -19.48 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.67 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.22 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.629 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.1 m -53.6 -47.37 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.629 ' N ' HG23 ' B' ' 54' ' ' VAL . 13.7 t0 -66.3 -29.18 69.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.51 -45.39 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.457 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.6 OUTLIER -75.11 -32.9 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.38 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.78 62.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.31 -30.93 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.91 -63.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.563 ' N ' HD12 ' B' ' 61' ' ' LEU . 24.3 t70 -58.49 -50.11 74.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -39.91 -61.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' B' ' 67' ' ' GLY . 84.1 m-20 -101.33 24.59 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.591 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.0 p30 -59.92 -22.36 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.329 . . . . 0.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.591 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -90.59 -170.72 43.54 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.706 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.4 134.8 36.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.438 -0.381 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' B' ' 70' ' ' ASP . 13.6 p -105.28 157.56 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.608 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 20.5 t0 -47.75 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.498 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 28.2 t80 -163.52 -58.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.689 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.8 mp0 -50.87 -40.95 57.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.01 -22.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.696 0.284 . . . . 0.0 111.228 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.734 ' HB2' HD21 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -67.83 -25.98 65.83 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.758 HG23 ' H ' ' B' ' 76' ' ' VAL . 28.9 m -50.3 -60.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.897 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.758 ' H ' HG23 ' B' ' 75' ' ' VAL . 1.6 p -55.23 -37.17 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.738 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.68 -37.69 51.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.07 -32.62 54.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.588 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -65.08 -41.92 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.106 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -44.56 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.117 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.747 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.2 tt -76.44 -31.77 58.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -55.48 -62.02 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 5.2 p -55.26 -39.49 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.61 -36.94 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.4 -40.98 66.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -60.72 -45.26 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.455 ' H ' ' HB3' ' B' ' 40' ' ' GLU . 80.8 p 55.67 28.01 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.462 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -72.45 -26.06 61.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.3 mm? -74.27 -48.34 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.487 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -31.9 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.49 -44.81 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.145 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.88 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.42 -37.15 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.1 m -54.06 -47.83 71.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD13 ' CG1' ' A' ' 75' ' ' VAL . 31.1 mt -69.45 -36.69 76.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.1 -40.97 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.83 -56.82 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.7 p -51.85 -43.07 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.74 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.533 ' N ' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -71.84 -41.77 67.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.54 70.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -67.76 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.4 p -120.13 147.52 44.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.19 -45.09 0.82 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' GLU . 43.4 tttm -102.69 31.92 3.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.388 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.1 pt-20 -33.98 106.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.737 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.67 -26.56 7.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' LYS . 28.7 t70 -110.24 135.72 50.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 110.186 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' ASP . 95.8 mttt -36.64 148.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.6 p90 -48.19 111.29 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -144.82 129.7 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.282 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 120.77 22.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -72.09 167.95 19.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 43.2 pttt -50.41 -45.77 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 96.6 mttt -56.98 -49.91 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.54 -56.87 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.701 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 HG11 ' A' ' 69' ' ' VAL . 1.8 tt -59.77 -50.97 71.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.669 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE2' HE22 ' A' ' 38' ' ' GLN . 82.3 tttt -56.82 -49.39 75.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.643 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 39' ' ' THR . 79.9 mm-40 -67.51 -32.4 73.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.66 -57.56 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.485 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.32 -50.97 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.845 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 99.3 mt-30 -48.3 -43.92 33.41 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.305 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.507 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 29.2 p -65.2 -29.36 70.17 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.69 -50.52 9.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.16 28.11 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.249 -179.438 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -52.17 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 -31.66 52.58 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.816 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.1 t80 -74.04 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.625 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.32 -15.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.482 -179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.8 t0 -57.53 -29.28 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.839 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.4 40.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -78.24 -22.61 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.92 -29.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.81 -31.38 72.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -90.52 129.26 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.626 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.95 -19.53 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.18 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.736 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.5 m -53.85 -46.26 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG23 ' A' ' 54' ' ' VAL . 12.2 t0 -68.6 -29.34 67.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.73 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.76 -46.74 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -32.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.64 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.92 -27.74 53.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -52.9 -31.09 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.75 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -67.17 -39.15 86.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' ' 61' ' ' LEU . 26.1 t70 -51.97 -41.15 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 -26.89 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 65' ' ' GLY . 92.5 m-20 -85.43 24.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -28.22 -50.34 0.09 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.65 -11.74 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.54 -175.16 44.61 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.83 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -135.62 -174.99 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.208 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.726 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -137.76 139.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' VAL . 12.8 t70 -35.13 -88.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -177.62 -74.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 12.9 mp0 -51.25 -32.56 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.776 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.42 -22.76 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.606 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -68.25 -27.01 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.0 m -50.59 -59.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.145 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.8 p -52.64 -38.79 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.818 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.6 -33.41 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 82' ' ' THR . 58.3 t -70.19 -38.19 73.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.32 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.69 92.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.78 -34.8 28.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.916 0.388 . . . . 0.0 110.183 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.44 -33.52 58.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 78' ' ' VAL . 69.2 p -67.14 -56.58 9.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 6.1 p -49.01 -38.92 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.456 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -64.61 -46.18 83.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.576 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 57.3 t30 -57.32 -36.9 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 97.4 m-20 -59.32 -34.91 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.91 -48.25 80.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -67.79 -50.08 58.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.576 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 9.8 m95 -95.55 117.47 30.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -171.96 102.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -93.32 94.39 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.546 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.45 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 81.1 p 55.55 27.98 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.531 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -72.44 -25.99 61.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.787 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.3 mm? -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.416 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.92 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.17 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.59 -44.69 77.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.131 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.15 -32.82 67.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.38 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.94 -43.21 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.36 -37.2 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.9 m -53.99 -47.89 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.819 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' CG1' ' B' ' 75' ' ' VAL . 30.6 mt -69.44 -36.56 76.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.18 -40.95 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.87 -56.88 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.7 p -51.87 -42.98 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 31.2 t80 -71.9 -41.74 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -58.05 -30.42 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.58 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -67.8 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.6 p -120.19 147.45 44.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.12 -45.15 0.82 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 22' ' ' GLU . 43.3 tttm -102.66 31.83 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.1 pt-20 -33.89 105.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.817 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.4 -26.66 7.23 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' LYS . 28.9 t70 -110.17 135.77 50.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 110.262 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' ASP . 95.8 mttt -36.62 148.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.15 111.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -144.87 129.71 18.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.204 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.71 120.77 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.714 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -71.95 167.93 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.237 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 43.3 pttt -50.47 -45.79 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 96.7 mttt -56.93 -49.89 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.02 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.6 -56.87 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.727 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 HG11 ' B' ' 69' ' ' VAL . 1.8 tt -59.79 -50.9 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.736 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.46 ' HE2' HE22 ' B' ' 38' ' ' GLN . 82.3 tttt -56.84 -49.36 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 0.0 110.602 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.507 ' O ' HG23 ' B' ' 39' ' ' THR . 79.9 mm-40 -67.56 -32.43 73.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.12 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.523 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.69 -57.56 7.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.467 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.441 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.2 -51.06 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.869 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' B' ' 42' ' ' SER . 99.4 mt-30 -48.27 -43.86 33.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.408 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.507 HG23 ' O ' ' B' ' 35' ' ' GLU . 28.6 p -65.27 -29.4 70.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -50.63 9.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.908 179.414 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.19 28.16 8.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.234 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.85 -52.14 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.8 -31.76 52.45 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.221 -0.514 . . . . 0.0 111.819 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.8 t80 -73.97 -59.72 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.659 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.055 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.27 -15.01 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.526 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.055 ' N ' HD23 ' B' ' 45' ' ' LEU . 11.8 t0 -57.62 -29.25 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.113 0.482 . . . . 0.0 109.852 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.92 -25.47 40.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' ALA . 95.8 mt-30 -78.17 -22.68 48.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.99 -29.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.72 -31.54 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -90.41 129.27 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.1 -19.5 62.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.73 -27.27 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.606 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.6 m -53.91 -46.22 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.606 ' N ' HG23 ' B' ' 54' ' ' VAL . 12.2 t0 -68.5 -29.44 68.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -49.74 -46.7 50.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.81 -32.91 29.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.653 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.94 -27.67 53.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -52.95 -31.03 38.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.66 -63.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.583 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -67.13 -39.26 86.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.583 ' N ' HD12 ' B' ' 61' ' ' LEU . 26.0 t70 -51.92 -41.18 61.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.05 -26.91 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' B' ' 65' ' ' GLY . 92.4 m-20 -85.47 24.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -28.32 -50.24 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -110.71 -11.62 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.53 -175.06 44.63 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -135.73 -174.96 3.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.124 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.723 HG11 HD12 ' B' ' 33' ' ' LEU . 5.9 p -137.78 139.1 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 69' ' ' VAL . 12.9 t70 -35.21 -88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.815 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -177.8 -74.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 12.9 mp0 -51.3 -32.51 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.36 -22.78 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -68.27 -26.95 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.764 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.0 m -50.47 -60.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.364 -0.535 . . . . 0.0 111.187 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -52.67 -38.78 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.72 -33.31 33.96 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.772 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' HG23 ' B' ' 82' ' ' THR . 59.3 t -70.29 -38.15 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.184 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.61 91.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -34.93 28.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.956 0.407 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.677 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.27 -33.58 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 78' ' ' VAL . 69.8 p -67.14 -56.53 9.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 87' ' ' ASN . 6.1 p -49.09 -38.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.411 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.51 -46.22 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.29 -44.41 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.576 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 57.3 t30 -57.26 -36.96 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.474 ' O ' ' O ' ' B' ' 90' ' ' TRP . 97.4 m-20 -59.28 -34.92 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.516 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -57.92 -48.35 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -67.7 -50.05 59.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.576 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 9.7 m95 -95.59 117.46 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -171.91 102.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -93.26 94.41 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.48 ' H ' ' CB ' ' B' ' 40' ' ' GLU . 0.8 OUTLIER 79.43 20.61 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.346 . . . . 0.0 110.441 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -22.96 61.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -74.36 -49.62 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -32.53 40.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.338 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 m -66.8 -41.8 86.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.01 -33.73 70.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.2 -41.14 68.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.11 -40.7 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.771 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -53.96 -45.94 71.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.695 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 75' ' ' VAL . 34.9 mt -71.91 -34.59 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.55 -43.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -63.35 -56.21 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -51.87 -38.89 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.557 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 64.1 t80 -72.2 -50.64 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.6 -27.26 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.2 75.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.7 -99.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -113.54 143.69 44.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.0 -45.22 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 70.1 tttt -99.51 32.84 2.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.329 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.02 106.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.702 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.79 -29.08 12.58 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' LYS . 28.3 t0 -109.78 138.49 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' ASP . 38.2 mttm -37.46 146.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.5 p90 -40.52 105.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -140.61 126.06 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.16 125.26 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.475 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.37 166.29 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.21 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 42.5 pttt -50.64 -45.77 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.318 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 81.4 mttt -58.47 -50.13 74.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.617 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.4 37.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -75.14 -55.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.45 -42.29 66.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.491 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 80.3 mm-40 -71.63 -33.16 68.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.278 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.3 tt -50.01 -57.55 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.312 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.94 -54.93 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.631 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.7 mt-30 -48.33 -49.46 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.1 p -59.82 -29.85 68.53 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.68 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.25 -52.32 7.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.281 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.13 28.44 8.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.932 -179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -50.62 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.996 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.23 34.93 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.3 t80 -68.83 -60.16 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.621 0.248 . . . . 0.0 111.592 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.351 -179.068 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 t0 -55.2 -27.02 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 109.792 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 -25.12 30.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.443 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -80.44 -27.21 38.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -43.93 -31.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.408 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.75 -28.38 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.81 134.03 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 45.4 p-10 -71.18 -19.45 62.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.42 -28.41 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 55' ' ' ASP . 21.4 m -55.38 -47.47 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.0 t70 -64.54 -29.17 70.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.775 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -49.42 -45.59 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -74.28 -32.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.464 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.8 -30.4 67.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.544 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.78 -30.73 34.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.53 -56.99 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 3.2 pp -76.0 -25.15 55.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.862 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -46.48 89.33 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.4 -28.15 18.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' GLY . 90.5 m-20 -88.81 24.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.494 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -29.12 -46.54 0.07 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.64 -13.69 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.457 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.39 -173.95 44.72 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.63 -174.9 3.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.228 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.784 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -136.85 138.23 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.429 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 69' ' ' VAL . 13.6 t70 -34.23 -95.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -169.75 -75.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.245 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 75' ' ' VAL . 10.6 mp0 -51.63 -31.55 25.73 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.69 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -48.09 -22.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.676 0.274 . . . . 0.0 111.452 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -66.29 -27.33 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.742 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.0 m -51.0 -60.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.359 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -53.93 -37.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.811 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.55 -38.49 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 HD12 ' B' ' 4' ' ' LEU . 39.9 t -67.29 -32.68 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.627 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -66.69 -41.81 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -43.8 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.7 tt -76.45 -32.47 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.084 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -54.64 -58.9 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.0 p -58.44 -37.21 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.37 -51.74 64.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.568 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.85 -40.16 95.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' TRP . 20.2 m120 -63.69 -32.77 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.79 -52.57 59.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.727 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -72.11 -50.09 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.458 ' O ' ' O ' ' A' ' 87' ' ' ASN . 7.2 m95 -109.21 150.89 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -148.65 174.66 11.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -142.46 162.07 36.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.516 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.476 ' H ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 79.38 20.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -23.05 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.783 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -74.22 -49.74 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.29 -32.61 38.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.386 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.4 m -66.83 -41.67 87.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.05 -33.81 70.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.17 -41.12 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.07 -40.69 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.744 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.95 -45.82 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' B' ' 75' ' ' VAL . 34.6 mt -72.06 -34.61 68.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.43 -43.72 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.42 -56.22 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.017 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.5 p -51.8 -38.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.66 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 64.1 t80 -72.32 -50.6 25.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.58 -27.34 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.3 75.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.69 -99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -113.56 143.79 43.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.09 -45.23 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' B' ' 22' ' ' GLU . 70.0 tttt -99.44 32.61 2.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.4 pt-20 -33.76 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.808 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.54 -28.91 10.91 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' LYS . 28.5 t0 -109.92 138.49 46.22 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' ASP . 38.2 mttm -37.47 146.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.5 p90 -40.46 105.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -140.64 126.03 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.218 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -134.08 125.27 27.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.39 166.21 22.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.153 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 42.4 pttt -50.43 -45.89 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 81.3 mttt -58.47 -50.07 75.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.679 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -43.23 38.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.774 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -75.06 -55.32 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -53.46 -42.21 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.993 0.425 . . . . 0.0 110.529 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -71.71 -33.0 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.346 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.525 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.2 tt -50.17 -57.51 7.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.242 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.555 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -67.95 -54.91 15.02 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.639 -179.472 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.6 mt-30 -48.33 -49.49 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.1 p -59.76 -29.92 68.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.703 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.22 -52.27 7.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.294 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.504 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.06 28.35 8.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.993 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.619 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.66 -50.56 13.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.77 -37.3 34.52 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.421 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.4 t80 -68.72 -60.27 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.61 0.243 . . . . 0.0 111.557 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.048 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.49 -15.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.426 -179.069 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.048 ' N ' HD23 ' B' ' 45' ' ' LEU . 7.4 t0 -55.24 -27.06 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.04 -25.11 30.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -80.5 -27.12 37.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.71 -28.49 67.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.75 134.03 39.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.683 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 45.2 p-10 -71.17 -19.46 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.52 -28.34 13.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.617 HG23 ' N ' ' B' ' 55' ' ' ASP . 21.5 m -55.39 -47.5 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 110.354 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.0 t70 -64.52 -29.31 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -49.37 -45.6 46.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.434 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.29 -32.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.77 -30.47 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.559 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -52.76 -30.75 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.747 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -68.48 -57.06 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -75.83 -25.23 56.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.932 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -46.53 89.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.36 -28.22 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 90.6 m-20 -88.71 24.48 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -29.08 -46.51 0.07 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.65 -13.78 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.466 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.31 -173.86 44.82 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.877 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.67 -174.97 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.243 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.774 HG11 HD12 ' B' ' 33' ' ' LEU . 6.0 p -136.83 138.21 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.416 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' B' ' 69' ' ' VAL . 13.8 t70 -34.22 -95.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -169.73 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.263 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.727 ' O ' HG22 ' B' ' 75' ' ' VAL . 10.6 mp0 -51.67 -31.51 26.04 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.707 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -48.13 -22.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.497 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -66.22 -27.41 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.755 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.2 m -51.0 -60.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.348 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.755 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -53.98 -37.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.846 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.5 -38.48 54.25 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.426 HG21 HD12 ' A' ' 4' ' ' LEU . 40.0 t -67.37 -32.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.515 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -66.66 -41.9 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -43.83 57.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.716 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.7 tt -76.48 -32.38 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.038 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -54.73 -58.88 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.412 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.1 p -58.44 -37.17 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.412 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.43 -51.66 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.592 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.89 -40.11 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.702 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' B' ' 90' ' ' TRP . 20.2 m120 -63.75 -32.72 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.74 -52.63 59.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.02 -50.18 30.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.703 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.458 ' O ' ' O ' ' B' ' 87' ' ' ASN . 7.1 m95 -109.13 150.88 27.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -148.68 174.7 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -142.45 162.09 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.561 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.5 p 83.99 21.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.379 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.98 -22.78 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.5 mm? -74.33 -48.91 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -33.2 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.204 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -63.52 -43.44 97.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.752 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.78 -34.46 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -53.96 -41.57 67.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -71.95 -39.94 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.757 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -54.05 -46.38 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.1 mt -71.55 -35.55 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -34.83 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -68.41 -56.4 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.006 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.0 p -51.79 -39.15 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.793 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 67.7 t80 -71.24 -43.55 67.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.648 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -57.91 -33.05 68.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -72.1 -100.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.2 132.45 55.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -41.4 0.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' GLU . 28.2 tttp -87.89 9.81 20.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.62 106.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.75 -27.24 9.02 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' LYS . 87.1 m-20 -105.29 134.37 48.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.688 0.28 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' ASP . 63.6 mttm -35.63 152.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.669 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -47.0 126.66 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 42.3 tttt -159.12 140.32 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 82.1 mt -130.4 149.21 52.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -97.95 169.71 9.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.63 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 15.9 pttp -50.44 -45.13 55.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 23.6 mtpp -67.63 -49.32 63.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -47.67 -56.52 7.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.959 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 HG11 ' A' ' 69' ' ' VAL . 1.1 tt -60.69 -56.06 25.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.95 -45.09 74.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' THR . 79.6 mm-40 -71.29 -32.66 68.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -50.0 -57.27 7.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.314 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.84 -55.7 10.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.702 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.0 mt-30 -48.28 -46.76 36.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' GLU . 53.2 p -62.27 -30.13 70.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.55 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.31 -52.38 6.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.352 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.52 28.12 8.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -49.51 14.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.0 -38.58 30.0 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' N ' ' A' ' 46' ' ' ASP . 28.8 t80 -67.46 -60.36 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.452 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.241 -179.187 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.3 t70 -55.96 -30.01 61.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.982 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.79 -18.87 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.2 mt-30 -89.0 -24.19 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.77 -31.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -61.31 -27.74 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.78 130.06 39.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -68.95 -19.45 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.85 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.582 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.1 m -51.48 -44.71 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.179 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.582 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.2 t70 -65.91 -29.5 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.64 -45.16 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -74.56 -32.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 mmt -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.82 -30.79 35.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.3 -25.16 65.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLY . 26.3 t70 -58.93 -45.47 90.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.495 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -49.7 -27.47 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.252 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLY . 76.9 m-20 -88.54 24.45 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.452 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 30' ' ' LYS . . . -30.59 -46.45 0.12 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -111.54 -10.3 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -173.03 44.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 121.617 0.565 . . . . 0.0 112.377 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 pt-20 -131.65 -174.83 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.186 -0.507 . . . . 0.0 110.1 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.733 HG11 HD12 ' A' ' 33' ' ' LEU . 14.2 p -141.15 140.46 32.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.76 0.314 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 27.8 t70 -46.19 -103.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.68 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -158.42 -72.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.402 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.703 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.1 mp0 -50.86 -34.61 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -48.51 -22.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.669 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.45 63.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.488 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.782 HG23 ' H ' ' A' ' 76' ' ' VAL . 34.5 m -50.21 -60.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.614 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.782 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.7 p -53.83 -37.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.831 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.63 -39.42 58.04 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.16 -32.55 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -64.98 -43.01 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.033 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.41 56.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.36 -31.95 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.7 m -56.44 -61.79 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.719 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 84' ' ' ALA . 7.6 p -55.52 -39.02 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.702 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -56.99 -52.18 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.71 -39.33 76.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.582 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 47.7 t30 -58.9 -40.01 83.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 90' ' ' TRP . 78.9 m-20 -62.13 -30.89 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -67.26 -44.46 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -64.88 -49.99 68.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.755 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.582 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 12.8 m95 -96.9 -179.74 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.668 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -156.06 -105.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.478 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.7 t30 59.75 50.61 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.517 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.5 p 83.98 21.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.382 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.93 -22.85 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.785 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.5 mm? -74.28 -48.91 25.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -33.23 56.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -63.46 -43.48 97.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.79 -34.5 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.03 -41.47 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.97 -39.99 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.734 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.752 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -53.99 -46.37 71.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 HG12 ' B' ' 75' ' ' VAL . 26.3 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.825 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.21 -35.01 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -68.33 -56.28 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -51.84 -39.28 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.452 ' N ' HG13 ' B' ' 14' ' ' VAL . 67.5 t80 -71.11 -43.52 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -57.93 -33.09 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.43 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -72.17 -100.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.615 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.23 132.53 55.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.11 -41.42 0.83 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 22' ' ' GLU . 28.2 tttp -87.88 9.76 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.4 pt-20 -34.49 106.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.817 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.48 -27.12 7.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 87.0 m-20 -105.25 134.43 48.37 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 63.7 mttm -35.76 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.688 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -46.95 126.69 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.539 ' NZ ' ' OE2' ' B' ' 68' ' ' GLU . 42.2 tttt -159.14 140.29 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 69' ' ' VAL . 81.7 mt -130.34 149.18 52.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -98.06 169.7 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' B' ' 65' ' ' GLY . 16.0 pttp -50.43 -45.19 55.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 23.7 mtpp -67.48 -49.33 64.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.303 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' B' ' 36' ' ' LEU . 37.5 mm-40 -47.69 -56.49 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.976 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.719 HD12 HG11 ' B' ' 69' ' ' VAL . 1.1 tt -60.6 -56.2 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.784 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.82 -45.17 74.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 110.46 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.66 ' O ' HG23 ' B' ' 39' ' ' THR . 79.6 mm-40 -71.24 -32.73 69.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.05 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.97 -57.24 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.397 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.514 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.76 -55.73 10.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.73 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.9 mt-30 -48.21 -46.92 35.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 35' ' ' GLU . 54.7 p -62.15 -30.17 70.86 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.577 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.37 -52.27 7.06 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.342 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.63 28.19 8.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.9 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.75 -49.5 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 -38.54 30.05 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' B' ' 46' ' ' ASP . 28.8 t80 -67.44 -60.36 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.507 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.042 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.62 -15.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.288 -179.239 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.042 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.3 t70 -56.1 -29.96 61.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.899 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.7 -18.94 46.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -88.93 -24.3 22.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.8 -31.72 0.89 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.424 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -61.28 -27.77 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.72 130.07 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -68.99 -19.45 64.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.83 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.58 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.2 m -51.52 -44.62 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.965 0.412 . . . . 0.0 110.196 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.58 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.2 t70 -66.01 -29.46 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.69 -45.16 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER -74.41 -32.97 32.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmt -59.19 -35.09 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.86 -30.85 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.2 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.755 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.42 -25.11 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 65' ' ' GLY . 26.4 t70 -58.89 -45.49 90.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.593 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -49.69 -27.43 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 77.1 m-20 -88.62 24.45 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.412 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.551 ' O ' ' CD ' ' B' ' 30' ' ' LYS . . . -30.61 -46.46 0.13 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -111.48 -10.31 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.44 -173.0 44.55 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 121.532 0.518 . . . . 0.0 112.355 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.539 ' OE2' ' NZ ' ' B' ' 27' ' ' LYS . 8.4 pt-20 -131.71 -174.74 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.057 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.719 HG11 HD12 ' B' ' 33' ' ' LEU . 14.2 p -141.22 140.41 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.756 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 69' ' ' VAL . 27.8 t70 -46.16 -103.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -158.31 -72.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.464 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.709 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.0 mp0 -50.91 -34.57 29.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -48.53 -22.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.556 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.52 63.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.776 HG23 ' N ' ' B' ' 76' ' ' VAL . 34.6 m -50.25 -60.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.536 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.776 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -53.86 -37.34 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.796 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.62 -39.45 58.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 52.0 t -65.1 -32.59 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.63 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -64.97 -43.05 93.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.007 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.43 -43.48 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.37 -31.97 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.004 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -56.42 -61.74 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.6 p -55.48 -39.14 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -56.92 -52.29 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.68 -39.26 77.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.578 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 47.7 t30 -58.96 -40.02 83.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.658 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' B' ' 90' ' ' TRP . 79.3 m-20 -62.23 -30.79 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.599 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -67.31 -44.45 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.7 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -64.87 -50.05 68.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.578 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 12.6 m95 -96.86 -179.77 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.735 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.03 -105.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 t30 59.72 50.63 6.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.526 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.5 t 155.17 23.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.155 0.502 . . . . 0.0 110.053 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -69.35 -25.97 64.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -74.32 -47.58 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.401 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -38.09 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -61.0 -41.37 96.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.324 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.16 -36.57 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.628 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.12 -43.14 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.613 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.27 -38.9 68.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.746 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.9 m -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 75' ' ' VAL . 27.5 mt -72.34 -34.21 67.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -74.35 -35.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -67.74 -57.3 6.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.2 p -52.57 -40.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.703 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 62.0 t80 -69.22 -41.2 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.69 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -61.46 -27.07 68.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.76 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -70.92 -98.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.8 p -120.0 145.42 46.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.18 -45.0 1.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' GLU . 50.5 tttm -102.43 40.18 1.39 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.795 0.331 . . . . 0.0 110.517 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.0 pt-20 -33.51 106.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -31.19 14.43 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 53.9 p30 -110.19 142.59 41.52 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 24' ' ' ASP . 68.7 mttm -36.71 157.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.553 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -53.96 102.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -140.56 134.3 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.232 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -135.41 127.32 29.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -69.32 162.83 26.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 21.9 pttm -50.73 -44.2 58.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 67.6 mttm -58.66 -50.05 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.15 -55.95 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.707 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.886 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -61.04 -52.6 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.39 -48.74 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 39' ' ' THR . 80.5 mm-40 -66.51 -32.57 74.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.037 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.5 tt -49.66 -57.42 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.248 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.16 -56.09 8.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.7 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.7 mt-30 -48.33 -48.58 36.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 35' ' ' GLU . 48.6 p -61.52 -29.83 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.722 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.14 -51.43 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.345 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.44 28.08 9.07 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.191 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -45.86 -47.55 16.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.91 0.386 . . . . 0.0 110.56 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.23 -36.66 34.22 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 46' ' ' ASP . 18.5 t80 -74.0 -55.55 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.002 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.26 -12.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.413 -178.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.002 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.1 t70 -56.26 -27.95 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 109.755 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.45 -32.26 26.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.448 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -66.55 -25.17 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -43.89 -32.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.441 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.05 -34.36 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -86.85 126.84 34.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.73 -20.01 62.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.09 -31.28 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 55' ' ' ASP . 23.2 m -49.4 -44.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.547 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.9 t70 -72.05 -29.84 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.05 -45.84 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.765 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -32.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.502 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.32 -27.89 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -55.28 -35.08 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.46 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.781 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -64.52 -40.7 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' LEU . 22.7 t70 -52.46 -42.04 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.7 -31.69 68.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.3 m-20 -81.83 24.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.583 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -25.99 -50.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.54 -7.78 14.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.54 -175.42 44.57 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.851 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.05 144.65 36.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.485 -0.357 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 33' ' ' LEU . 8.3 p -93.96 138.92 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.4 t70 -36.07 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -170.64 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.716 ' O ' HG22 ' A' ' 75' ' ' VAL . 8.3 mp0 -55.83 -32.9 63.98 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.27 -22.82 0.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.411 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.45 -27.33 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.735 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.5 m -50.79 -60.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.198 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.757 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -55.04 -37.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.66 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.67 -38.19 53.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.52 -32.56 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.507 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -43.57 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.104 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.52 55.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 tt -76.5 -31.86 57.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -54.99 -59.14 5.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.74 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 84' ' ' ALA . 6.8 p -57.11 -39.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -57.07 -54.06 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.0 t -63.42 -39.09 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.23 -42.88 87.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.713 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' A' ' 90' ' ' TRP . 60.3 m-20 -56.85 -33.05 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.5 -47.25 66.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -66.67 -50.11 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' A' ' 87' ' ' ASN . 11.3 m95 -102.22 116.72 33.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.639 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.16 -38.07 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -52.57 -34.77 51.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.648 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.579 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.5 t 155.09 23.75 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.128 0.489 . . . . 0.0 110.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.37 -25.94 64.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.782 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.0 mm? -74.26 -47.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.418 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -37.96 64.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -61.08 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -36.65 69.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mtt -53.06 -43.22 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.16 -39.02 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.709 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.8 -45.07 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.698 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' B' ' 75' ' ' VAL . 27.2 mt -72.25 -34.18 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.8 mt -74.28 -35.61 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.006 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.74 -57.18 6.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.261 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -52.58 -40.92 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.791 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 62.1 t80 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -61.52 -27.0 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.66 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -70.85 -98.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -119.97 145.52 46.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.09 -45.11 1.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' B' ' 22' ' ' GLU . 50.4 tttm -102.36 40.15 1.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' B' ' 21' ' ' LYS . 5.0 pt-20 -33.25 106.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.927 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.12 -31.22 11.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' B' ' 24' ' ' ASP . 54.0 p30 -110.12 142.62 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 68.7 mttm -36.68 157.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -54.11 102.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -140.53 134.28 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -135.41 127.27 29.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -69.29 162.79 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.106 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 21.9 pttm -50.59 -44.31 56.88 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.489 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 67.7 mttm -58.62 -50.15 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.07 -55.94 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.916 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -61.08 -52.55 64.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.46 -48.73 76.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 39' ' ' THR . 80.5 mm-40 -66.49 -32.54 73.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.515 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.5 tt -49.74 -57.34 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.319 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -69.11 -56.06 8.84 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.741 -179.347 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' B' ' 42' ' ' SER . 23.7 mt-30 -48.49 -48.45 37.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 35' ' ' GLU . 48.1 p -61.64 -29.72 70.25 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.685 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.21 -51.4 7.98 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.359 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.496 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.38 28.04 9.11 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.618 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -45.87 -47.58 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.474 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.14 -36.79 34.18 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' B' ' 46' ' ' ASP . 18.6 t80 -73.97 -55.53 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.993 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.23 -13.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.458 -178.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.993 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.1 t70 -56.3 -27.84 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.36 26.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.392 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.48 -25.1 66.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.688 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -43.97 -32.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.07 -34.31 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -86.87 126.84 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.72 -20.01 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.24 30.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.557 HG23 ' N ' ' B' ' 55' ' ' ASP . 23.3 m -49.4 -44.17 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.557 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.9 t70 -72.01 -29.77 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.09 -45.76 68.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.438 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.9 OUTLIER -72.92 -32.65 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.39 -27.88 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.73 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -55.34 -35.06 64.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.36 -63.23 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.647 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -64.43 -40.79 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.647 ' N ' HD12 ' B' ' 61' ' ' LEU . 22.7 t70 -52.44 -42.05 63.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.716 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.69 -31.6 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.659 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.5 m-20 -81.99 24.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.615 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.577 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -26.02 -50.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.57 -7.72 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.504 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.59 -175.42 44.5 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.843 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.91 144.73 37.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.541 -0.329 . . . . 0.0 110.345 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.916 HG11 HD12 ' B' ' 33' ' ' LEU . 8.2 p -94.13 138.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 69' ' ' VAL . 21.5 t70 -36.06 -95.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.635 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.9 OUTLIER -170.67 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 8.3 mp0 -55.94 -32.75 64.09 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.41 -22.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -66.43 -27.42 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.74 HG23 ' H ' ' B' ' 76' ' ' VAL . 35.5 m -50.6 -60.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.244 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.74 ' H ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -55.08 -37.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.676 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.58 -38.15 53.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 t -68.6 -32.54 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.411 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.5 79.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.17 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.61 -43.51 56.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 109.943 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.626 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.5 tt -76.48 -31.85 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.198 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -55.14 -59.1 5.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.706 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.423 HG13 ' N ' ' B' ' 84' ' ' ALA . 6.9 p -57.1 -39.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.627 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -57.01 -54.1 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.35 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.33 -42.86 87.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' B' ' 90' ' ' TRP . 60.4 m-20 -56.91 -32.93 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.61 -47.25 67.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -66.66 -49.98 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.713 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.4 m95 -102.3 116.66 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.2 -38.07 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.542 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -52.49 -34.87 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.563 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' B' ' 40' ' ' GLU . 26.5 t 53.26 28.22 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -72.36 -25.88 61.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.7 mm? -74.34 -48.13 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.447 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.24 -31.78 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m -68.69 -44.62 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.257 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.04 -33.82 68.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.97 -43.29 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -72.27 -37.15 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.734 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.728 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.9 m -54.24 -49.32 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.43 -37.57 87.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 83.7 mt -74.29 -37.67 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -64.79 -56.96 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.496 HG21 HD21 ' A' ' 36' ' ' LEU . 9.7 p -51.84 -40.16 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.791 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.642 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 81.4 t80 -68.16 -46.65 70.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.347 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -57.45 -32.31 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.56 84.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.49 -99.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -120.11 127.31 52.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' GLU . 30.5 tttp -99.37 32.31 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.465 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.24 106.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -27.94 9.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 86.7 m-20 -105.54 135.92 46.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 81.4 mttt -36.09 158.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.76 129.76 17.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -170.24 124.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.536 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt -135.35 119.45 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' OG ' ' OE2' ' A' ' 32' ' ' GLU . 12.3 p -72.22 168.07 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.438 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 18.6 pttp -50.7 -45.19 58.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.703 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 26.1 mtpt -61.28 -47.29 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.04 8.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HG11 ' A' ' 69' ' ' VAL . 2.7 tt -63.15 -53.94 45.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HE3' HE22 ' A' ' 38' ' ' GLN . 16.8 tttp -50.82 -49.31 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 39' ' ' THR . 80.4 mm-40 -65.77 -32.63 74.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.329 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.8 -57.54 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.486 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.32 -53.78 11.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.073 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' SER . 96.7 mt-30 -48.19 -44.07 32.4 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.668 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 35' ' ' GLU . 40.0 p -65.06 -29.29 70.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.52 -51.44 8.26 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.72 27.97 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.186 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.0 -48.73 16.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.18 -35.58 37.73 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.6 t80 -73.96 -56.31 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.017 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.16 -14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.335 -178.763 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.017 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.2 t70 -58.42 -26.86 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.869 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.77 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.73 -35.04 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -89.35 126.93 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.618 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 55.8 p30 -70.87 -19.8 62.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.85 -32.53 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 55' ' ' ASP . 17.1 m -52.59 -43.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.3 t70 -68.75 -29.61 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -49.76 -46.88 51.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.88 -33.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.758 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.32 -27.7 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.606 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.78 -31.08 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.9 -63.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -67.26 -35.89 80.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' N ' HD12 ' A' ' 61' ' ' LEU . 46.0 t0 -57.22 -52.02 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.689 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -58.13 -26.1 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . 56.9 m-20 -81.37 24.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.13 -48.54 0.1 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.7 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 110.355 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.28 -175.32 44.95 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.68 -174.84 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.853 HG11 HD12 ' A' ' 33' ' ' LEU . 7.1 p -137.63 141.78 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -42.38 -90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.699 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -174.09 -57.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.463 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.698 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.6 mp0 -71.24 -29.29 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -48.08 -22.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.657 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -68.0 -27.03 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 30.8 m -50.79 -60.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.154 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -54.52 -38.7 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.74 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.95 -33.17 36.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.641 -0.424 . . . . 0.0 109.89 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.3 -36.51 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -50.97 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.94 -31.61 18.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.9 tt -76.75 -45.44 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.246 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.599 ' OG1' HD11 ' B' ' 12' ' ' ILE . 0.7 OUTLIER -71.91 -47.43 52.65 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.25 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' NE2' ' B' ' 72' ' ' GLN . 8.1 p -51.47 -40.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.466 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -69.43 -35.14 75.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.302 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.9 -50.52 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.44 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -55.83 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.484 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 90' ' ' TRP . 96.1 m-20 -55.97 -29.95 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.455 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.29 -45.41 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -66.94 -47.65 71.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.538 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.449 ' O ' ' O ' ' A' ' 87' ' ' ASN . 12.0 m95 -98.3 112.27 24.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.454 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -146.22 66.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -85.61 111.57 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.457 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 26.4 t 53.21 28.23 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 0.0 110.503 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -72.37 -25.85 61.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.805 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -74.33 -48.13 30.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.15 -31.91 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -68.61 -44.6 73.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.25 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.18 -33.69 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.592 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.95 -43.39 63.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.505 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.21 -37.19 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.74 HG21 ' HB2' ' A' ' 7' ' ' ALA . 17.8 m -54.21 -49.39 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.751 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.39 -37.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.599 HD11 ' OG1' ' A' ' 82' ' ' THR . 83.9 mt -74.3 -37.65 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -64.83 -56.91 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.502 HG21 HD21 ' B' ' 36' ' ' LEU . 9.6 p -51.82 -40.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.651 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 81.4 t80 -68.22 -46.65 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -57.35 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.5 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.46 -99.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -120.15 127.28 52.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' B' ' 22' ' ' GLU . 30.5 tttp -99.42 32.21 2.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.352 . . . . 0.0 110.465 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.3 pt-20 -33.95 106.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.819 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.34 -27.86 8.44 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 25' ' ' LYS . 87.0 m-20 -105.69 135.86 46.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.748 0.309 . . . . 0.0 110.189 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 24' ' ' ASP . 81.6 mttt -35.94 158.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.665 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.68 129.73 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -170.25 124.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -135.43 119.49 17.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.468 ' OG ' ' OE2' ' B' ' 32' ' ' GLU . 12.2 p -72.1 168.13 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.419 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.522 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 18.8 pttp -50.87 -45.06 59.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.522 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 26.0 mtpt -61.35 -47.28 86.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.1 8.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.672 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.863 HD12 HG11 ' B' ' 69' ' ' VAL . 2.7 tt -63.03 -54.03 44.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HE3' HE22 ' B' ' 38' ' ' GLN . 16.7 tttp -50.74 -49.36 58.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.528 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -65.76 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.273 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.511 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.77 -57.53 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.532 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.437 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.37 -53.6 11.85 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.124 -178.803 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 96.6 mt-30 -48.33 -44.05 33.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.636 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 35' ' ' GLU . 40.0 p -65.03 -29.3 70.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.36 8.33 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.855 179.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.48 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.76 27.96 9.05 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.182 -179.513 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.05 -48.66 16.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.577 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.48 37.65 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 21.7 t80 -74.07 -56.22 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.023 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.11 -14.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.43 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.023 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.2 t70 -58.35 -26.96 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.967 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -35.63 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.531 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.54 -26.06 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.68 -35.09 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -89.32 127.02 35.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 55.8 p30 -70.96 -19.76 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.77 -32.58 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' B' ' 55' ' ' ASP . 17.0 m -52.53 -43.03 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.3 t70 -68.89 -29.46 67.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -49.84 -46.9 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -32.99 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.784 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.5 -27.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -52.77 -31.04 36.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.694 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.02 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -67.27 -35.86 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' N ' HD12 ' B' ' 61' ' ' LEU . 45.9 t0 -57.28 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -58.01 -26.16 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 67' ' ' GLY . 56.6 m-20 -81.27 24.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.27 -48.45 0.1 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.65 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.372 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.38 -175.34 44.8 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.75 -174.85 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 110.241 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.863 HG11 HD12 ' B' ' 33' ' ' LEU . 7.1 p -137.71 141.83 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -42.38 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.704 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -174.07 -58.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.7 mp0 -71.11 -29.27 65.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.66 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -48.26 -22.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.547 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -68.05 -27.05 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' B' ' 76' ' ' VAL . 30.5 m -50.79 -59.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.286 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.2 p -54.42 -38.79 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.726 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.93 -33.21 36.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.25 -36.57 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.99 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.762 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.9 -31.61 18.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 0.0 110.401 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.9 tt -76.83 -45.35 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.26 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -71.98 -47.41 52.3 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.224 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.2 p -51.47 -40.67 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.479 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -69.43 -35.21 75.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.79 -50.61 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.423 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.89 -37.47 68.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' B' ' 90' ' ' TRP . 96.1 m-20 -55.95 -29.98 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -55.34 -45.38 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -66.89 -47.71 70.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.9 m95 -98.23 112.24 24.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.454 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -146.22 66.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.72 111.59 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.487 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.549 ' N ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' H ' ' CB ' ' B' ' 40' ' ' GLU . 74.7 m 56.37 29.17 14.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.516 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 10' ' ' THR . 65.7 mm-40 -72.06 -27.75 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.4 mm? -74.24 -48.27 29.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -31.85 27.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -66.35 -44.16 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.01 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.79 67.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 mtp -51.81 -43.21 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.21 -38.31 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.835 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -53.88 -45.59 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.725 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -71.03 -35.12 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 90.8 mt -73.98 -39.0 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.703 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.97 -35.19 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.6 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.67 -33.86 73.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.18 89.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -75.17 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.1 t -120.24 136.65 54.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.06 -45.08 0.65 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' GLU . 73.8 tttt -98.36 40.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.318 . . . . 0.0 110.634 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.7 pt-20 -33.69 106.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.712 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.5 -30.84 13.4 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 87.9 m-20 -109.93 141.33 42.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ASP . 68.2 mttm -36.5 150.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.593 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.3 p90 -41.76 113.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 9.4 pttp -165.69 125.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -130.94 118.42 20.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.48 164.33 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.313 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 22.0 pttt -50.62 -48.09 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.993 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 53.4 mttm -57.91 -50.34 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.09 -45.36 75.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.957 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.5 tt -75.22 -56.36 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.714 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' HE22 ' A' ' 38' ' ' GLN . 76.8 tttt -49.19 -41.37 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 39' ' ' THR . 63.8 mm-40 -72.05 -31.94 66.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.6 tt -48.75 -57.34 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.24 -54.11 10.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.976 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.603 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.6 mt-30 -48.51 -44.61 36.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 35' ' ' GLU . 41.9 p -63.95 -29.34 70.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -81.06 -50.47 9.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.415 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.8 8.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.017 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -46.47 -50.43 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.714 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.08 -33.33 45.62 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 26.4 t80 -74.19 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.2 -15.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.324 -178.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.3 t0 -55.49 -27.04 46.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.065 0.459 . . . . 0.0 109.856 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.22 -37.76 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ALA . 47.3 mt-30 -69.32 -26.46 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.78 -34.48 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 62.4 t0 -60.49 -33.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -85.99 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 54.0 p30 -70.95 -19.47 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.56 -29.35 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' N ' ' A' ' 55' ' ' ASP . 13.4 m -55.55 -45.63 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 54' ' ' VAL . 22.9 t0 -65.76 -29.38 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.38 50.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.3 -33.03 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.739 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.8 mmt -55.78 -28.22 54.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.444 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.12 -30.8 60.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.352 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.88 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.01 -31.29 70.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.0 t70 -66.02 -53.26 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 84.8 tt0 -39.95 -61.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 67' ' ' GLY . 91.9 m-20 -93.46 24.79 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -37.87 -51.04 2.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.97 -25.82 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.592 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -91.53 -160.26 36.16 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.71 -174.9 4.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.321 -0.439 . . . . 0.0 109.958 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.429 HG23 ' OE1' ' A' ' 73' ' ' GLU . 5.6 p -149.11 150.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.741 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' VAL . 40.9 t0 -42.45 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 t80 -179.44 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -50.67 -38.28 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' HG23 ' A' ' 69' ' ' VAL . 93.5 mt-10 -48.41 -22.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.362 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.8 m -50.77 -59.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.805 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -54.26 -38.91 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.769 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.8 -32.87 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.473 HG21 HD12 ' B' ' 4' ' ' LEU . 39.7 t -70.97 -35.44 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.225 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -50.59 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.944 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.93 -31.2 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.413 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.86 -48.56 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.57 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.0 OUTLIER -69.64 -46.88 65.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.281 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.493 ' N ' ' CG2' ' A' ' 82' ' ' THR . 6.1 p -52.87 -40.36 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.601 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.82 -34.0 76.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -74.02 -40.87 62.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.565 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.42 -39.38 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -61.48 -28.17 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.36 -49.7 75.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.665 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -80.98 -37.94 28.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.669 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -132.59 89.71 2.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 11.0 pt-20 -62.51 -13.37 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' GLU . 64.9 m-20 38.46 -129.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.545 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.524 ' N ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.434 ' H ' ' CB ' ' A' ' 40' ' ' GLU . 74.8 m 56.44 29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 10' ' ' THR . 65.5 mm-40 -72.05 -27.69 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.922 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.794 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.4 mm? -74.27 -48.31 29.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -31.91 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -66.21 -44.21 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.1 -32.67 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.271 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 19.0 mtp -51.9 -43.25 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.22 -38.2 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.0 m -53.9 -45.66 71.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.9 -35.11 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.57 HD11 ' OG1' ' A' ' 82' ' ' THR . 90.6 mt -74.06 -38.89 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.07 -35.14 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.7 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.642 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.57 -33.89 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.692 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.27 89.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -75.1 -100.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.643 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.2 t -120.25 136.69 54.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -45.12 0.65 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 22' ' ' GLU . 73.8 tttt -98.34 40.19 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.747 0.308 . . . . 0.0 110.68 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' B' ' 21' ' ' LYS . 5.7 pt-20 -33.53 105.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.773 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.33 -30.66 11.97 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 87.7 m-20 -109.95 141.24 42.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 68.1 mttm -36.56 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.628 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.3 p90 -41.74 113.65 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' B' ' 27' ' ' LYS . 9.4 pttp -165.67 125.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -130.88 118.35 20.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.44 164.3 11.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.559 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 22.1 pttt -50.56 -48.14 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.559 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 53.5 mttm -57.84 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.07 -45.31 75.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.6 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.5 tt -75.31 -56.26 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HE2' HE22 ' B' ' 38' ' ' GLN . 77.0 tttt -49.2 -41.32 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.444 . . . . 0.0 110.315 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' B' ' 39' ' ' THR . 63.8 mm-40 -72.15 -31.86 66.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.774 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.5 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.0 -57.22 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.369 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.46 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.21 -54.19 10.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.89 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.6 mt-30 -48.48 -44.63 35.96 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.426 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' B' ' 35' ' ' GLU . 42.0 p -63.93 -29.35 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -81.0 -50.48 9.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.458 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.77 8.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.932 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.596 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -46.56 -50.39 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.05 -33.32 45.75 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.432 ' C ' ' N ' ' B' ' 46' ' ' ASP . 26.8 t80 -74.22 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.14 -15.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.382 -178.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' B' ' 45' ' ' LEU . 10.4 t0 -55.51 -27.03 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 109.877 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.19 -37.89 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' B' ' 51' ' ' ALA . 47.5 mt-30 -69.18 -26.48 64.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.747 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -43.77 -34.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.4 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 62.3 t0 -60.57 -33.5 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.486 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -85.97 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 54.0 p30 -70.93 -19.44 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.584 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.66 -29.36 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.597 HG23 ' N ' ' B' ' 55' ' ' ASP . 13.3 m -55.59 -45.6 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.419 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.597 ' N ' HG23 ' B' ' 54' ' ' VAL . 22.9 t0 -65.73 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.643 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.31 50.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -33.02 32.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.733 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.7 -28.18 54.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.357 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -55.18 -30.87 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.34 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.94 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.05 -31.33 70.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 24.0 t70 -65.97 -53.28 40.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 84.8 tt0 -39.86 -61.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . 91.9 m-20 -93.51 24.77 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.229 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.93 -51.05 2.07 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.91 -25.85 65.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.614 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.52 -160.15 36.07 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.75 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.403 -0.398 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.431 HG23 ' OE1' ' B' ' 73' ' ' GLU . 5.7 p -149.12 150.98 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 40.8 t0 -42.54 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.368 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 22.1 t80 -179.51 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.634 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -50.73 -38.22 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.637 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' B' ' 69' ' ' VAL . 93.6 mt-10 -48.45 -22.71 0.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -68.36 -26.31 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.61 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.761 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.7 m -50.46 -59.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.873 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.761 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -54.34 -38.86 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.675 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -51.87 -32.84 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 4' ' ' LEU . 39.7 t -70.94 -35.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.266 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.53 -50.57 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.2 16.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.396 . . . . 0.0 110.488 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.639 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.91 -48.51 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -69.69 -46.82 65.16 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.291 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.506 ' N ' ' CG2' ' B' ' 82' ' ' THR . 6.0 p -52.91 -40.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.91 -34.03 77.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.98 -40.83 62.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -60.5 -39.39 87.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -61.37 -28.26 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.721 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -57.28 -49.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -81.02 -38.01 28.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.564 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -132.58 89.77 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 92' ' ' ASN . 11.0 pt-20 -62.45 -13.48 30.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 91' ' ' GLU . 65.1 m-20 38.43 -129.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.497 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.611 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.8 p 82.74 27.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.408 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.511 ' O ' ' CG2' ' B' ' 10' ' ' THR . 72.5 mm-40 -72.29 -25.12 61.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.791 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.8 mm? -74.52 -42.01 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -36.37 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.287 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 m -60.07 -44.19 94.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.1 -37.93 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 mtt -55.17 -46.0 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -69.7 -36.05 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.642 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -57.1 -46.37 82.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CG1' ' A' ' 75' ' ' VAL . 25.9 mt -72.18 -38.31 69.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.44 -32.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -64.71 -57.22 9.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.7 p -58.81 -39.91 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.789 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.1 t80 -64.23 -47.43 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 5.6 t-80 -63.16 -31.2 72.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.94 73.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -67.31 -97.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -120.02 133.0 55.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.468 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.84 -45.16 3.19 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 22' ' ' GLU . 74.4 tttt -103.53 39.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.576 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.0 pt-20 -34.81 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.707 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -28.5 10.45 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' LYS . 53.1 m-20 -110.07 140.6 43.95 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 24' ' ' ASP . 57.1 mttp -36.85 153.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.557 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -52.37 103.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -146.91 137.63 23.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.143 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -133.31 128.04 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.665 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.84 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.396 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 16.8 pttp -50.59 -46.11 57.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.505 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.1 mtpt -58.36 -50.24 74.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.635 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -51.3 -37.76 49.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.19 -56.6 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.477 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.76 -37.96 71.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.243 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' OG1' ' A' ' 39' ' ' THR . 71.2 mm-40 -72.0 -33.58 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.1 tt -50.79 -58.46 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.466 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.51 -50.1 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.83 -179.224 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 90.2 mt-30 -48.48 -49.48 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.914 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.0 p -62.48 -29.84 70.82 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.742 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' H ' ' B' ' 2' ' ' SER . 0.0 OUTLIER -82.29 -52.23 7.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.93 28.31 7.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.743 0.306 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -48.95 -50.12 37.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.344 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 -38.99 31.12 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.026 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 46' ' ' ASP . 27.3 t80 -67.3 -60.1 2.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.059 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.37 -16.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.325 -179.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.059 ' N ' HD23 ' A' ' 45' ' ' LEU . 9.5 t0 -57.42 -26.74 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.007 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.13 -21.48 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.524 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ALA . 65.5 mt-30 -81.36 -21.77 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.58 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -87.65 128.83 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -70.99 -19.63 62.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.54 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 55' ' ' ASP . 4.9 m -64.37 -42.42 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.47 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.593 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.0 49.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.991 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -72.28 -32.65 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.561 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.46 -27.89 64.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -53.04 -31.56 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.18 -63.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.719 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -66.72 -36.82 83.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' A' ' 61' ' ' LEU . 33.0 t70 -53.29 -51.77 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.646 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -60.88 -25.02 66.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' GLY . 90.4 m-20 -82.52 24.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' ' CE ' ' A' ' 30' ' ' LYS . . . -29.28 -49.94 0.12 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.77 2.63 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.759 0.314 . . . . 0.0 110.477 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.29 -175.6 44.89 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.687 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.56 143.78 20.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG11 HD12 ' A' ' 33' ' ' LEU . 5.2 p -95.37 152.51 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' VAL . 12.7 t70 -59.54 -73.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.5 OUTLIER 172.49 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.14 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -61.87 -28.48 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 78.5 mt-10 -63.18 -23.41 67.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.64 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.12 -27.6 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.766 0.317 . . . . 0.0 111.072 -179.016 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 72' ' ' GLN . 22.6 m -51.49 -59.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.714 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.748 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.2 p -51.97 -36.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.784 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.95 -39.99 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.571 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 96.9 t -63.53 -33.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.881 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -57.71 -47.61 81.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -44.98 57.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.115 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tt -76.18 -31.63 58.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.912 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 15.1 m -56.89 -61.17 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.7 p -56.89 -42.04 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.785 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -55.25 -41.83 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.09 -39.42 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -57.77 -42.59 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.83 -34.49 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.29 -45.92 82.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -117.4 112.59 20.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.45 20.49 12.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.414 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -48.77 -35.35 14.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.66 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.543 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.8 p 82.74 27.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 72.6 mm-40 -72.39 -25.15 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.792 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.8 mm? -74.44 -42.0 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.95 -36.29 78.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.325 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.2 m -60.23 -44.09 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.642 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.12 -37.95 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.13 -46.01 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.68 -36.13 75.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -57.06 -46.3 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.552 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.9 mt -72.23 -38.35 68.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.33 -32.16 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.67 -57.13 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.5 p -58.9 -39.87 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -64.26 -47.42 79.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.569 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 5.7 t-80 -63.17 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.12 -37.03 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -67.27 -98.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -119.98 133.04 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.88 -45.19 3.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' B' ' 22' ' ' GLU . 74.4 tttt -103.49 38.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.954 0.407 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 21' ' ' LYS . 6.1 pt-20 -34.65 106.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.754 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.28 -28.39 8.82 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 53.1 m-20 -110.16 140.58 44.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 0.0 110.178 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 56.9 mttp -36.88 153.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.547 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -52.23 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -146.93 137.64 23.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.186 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.26 128.05 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.682 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.92 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.389 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 16.8 pttp -50.56 -46.16 57.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.577 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 50.1 mtpt -58.39 -50.24 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.67 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.25 -37.77 48.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -75.18 -56.76 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.67 -38.01 71.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.201 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' B' ' 39' ' ' THR . 71.3 mm-40 -72.02 -33.57 68.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.412 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -50.79 -58.4 6.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.527 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.47 -50.16 28.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.864 -179.286 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 90.2 mt-30 -48.36 -49.56 34.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.983 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.2 p -62.31 -29.93 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.852 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' H ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -82.16 -52.27 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 179.284 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -105.87 28.23 7.76 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -49.1 -50.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.311 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.49 -39.0 31.48 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.053 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.046 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.42 -16.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.272 -179.304 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.046 ' N ' HD23 ' B' ' 45' ' ' LEU . 9.5 t0 -57.5 -26.75 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.43 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' B' ' 51' ' ' ALA . 65.6 mt-30 -81.49 -21.7 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.56 -34.06 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -87.71 128.83 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -71.02 -19.61 62.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -26.58 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 55' ' ' ASP . 4.9 m -64.4 -42.37 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.521 ' N ' HG23 ' B' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.46 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.01 49.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.962 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.7 OUTLIER -72.27 -32.74 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.54 -179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mmt -58.45 -27.91 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -53.13 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.793 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.23 -63.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.713 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -66.71 -36.79 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' B' ' 61' ' ' LEU . 33.0 t70 -53.31 -51.72 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.89 -25.11 66.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . 90.3 m-20 -82.47 24.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.531 ' O ' ' CE ' ' B' ' 30' ' ' LYS . . . -29.4 -49.85 0.12 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.72 2.56 18.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.22 -175.65 44.99 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.55 143.86 20.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.642 HG11 HD12 ' B' ' 33' ' ' LEU . 5.1 p -95.42 152.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.46 -73.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.5 OUTLIER 172.44 -61.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -61.83 -28.57 69.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -63.1 -23.48 67.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.644 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.539 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.11 -27.58 69.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.689 0.28 . . . . 0.0 110.994 -178.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' B' ' 72' ' ' GLN . 22.6 m -51.56 -59.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.689 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.2 p -51.96 -36.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.773 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 tp -51.9 -40.08 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.549 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' B' ' 82' ' ' THR . 97.1 t -63.43 -33.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.912 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -57.66 -47.69 81.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.03 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.196 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.519 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.1 tt -76.21 -31.63 58.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.895 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 15.3 m -56.94 -61.11 2.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.779 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 84' ' ' ALA . 10.7 p -56.88 -42.08 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -55.31 -41.79 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.15 -39.45 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -57.64 -42.66 83.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.702 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.76 -34.51 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -56.35 -48.09 77.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.27 -46.02 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -117.29 112.61 20.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.599 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.49 20.53 12.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.426 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -48.77 -35.47 14.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.579 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' H ' ' HB3' ' B' ' 40' ' ' GLU . 70.7 m 56.65 31.35 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.1 -26.57 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.849 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.5 mm? -74.5 -47.99 29.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.261 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -33.46 32.77 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -66.23 -43.77 85.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.826 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.3 -36.52 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.98 -42.35 62.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.425 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.39 -38.23 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.73 HG21 ' HB2' ' B' ' 7' ' ' ALA . 16.4 m -53.91 -44.88 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.0 mt -72.06 -36.76 69.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' B' ' 82' ' ' THR . 81.6 mt -74.38 -33.38 33.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.779 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -71.26 -57.27 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -52.3 -36.68 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.547 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 14' ' ' VAL . 71.2 t80 -72.04 -41.79 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -59.01 -36.6 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.09 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.33 -100.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.2 m -120.14 135.76 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.99 -45.08 0.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' GLU . 67.7 tttt -96.0 30.99 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.501 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 7.4 pt-20 -33.87 106.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.61 -29.03 11.47 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 25' ' ' LYS . 44.8 t0 -110.13 143.14 40.64 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 24' ' ' ASP . 55.5 mttm -43.67 172.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -45.48 135.23 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.762 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -175.04 124.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.302 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.43 115.19 9.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.559 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t -70.85 167.08 19.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 4.4 pttm -50.38 -47.54 56.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 60.7 mttm -56.05 -50.39 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.179 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 29' ' ' SER . 34.7 mt-10 -48.56 -56.08 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.686 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.871 HD12 HG11 ' A' ' 69' ' ' VAL . 2.2 tt -67.76 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.236 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HZ3' ' CD ' ' A' ' 38' ' ' GLN . 60.9 tttm -50.0 -48.04 52.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 39' ' ' THR . 69.0 mm-40 -67.9 -32.17 72.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.203 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.7 tt -49.24 -57.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.436 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.5 -52.53 15.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.021 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 26.5 mt-30 -48.58 -45.31 37.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.696 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 35' ' ' GLU . 35.6 p -64.57 -29.21 70.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.43 -51.37 8.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.876 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.94 9.07 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.143 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.45 21.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.622 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.21 -36.23 35.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.1 t80 -73.12 -56.99 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.005 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.388 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.005 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.4 t70 -56.69 -29.38 62.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.89 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.24 -34.11 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.3 mt-30 -75.03 -29.32 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.99 -35.41 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.09 -29.63 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.95 131.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.84 -19.84 62.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -31.9 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 55' ' ' ASP . 11.4 m -56.0 -44.07 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 54' ' ' VAL . 25.3 t0 -66.55 -29.35 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.651 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.63 -47.89 49.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.46 -32.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.811 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.32 -27.87 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.14 -30.89 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.52 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -68.67 -38.4 80.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.678 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' ' 61' ' ' LEU . 27.3 t70 -60.11 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -40.0 -61.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.805 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.6 m-20 -87.4 24.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.4 -50.16 5.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.97 62.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.98 -166.46 40.77 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.65 167.13 20.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.051 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.871 HG11 HD12 ' A' ' 33' ' ' LEU . 7.3 p -121.73 143.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 69' ' ' VAL . 32.1 t70 -43.66 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.671 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -167.17 -70.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.376 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.671 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.88 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.784 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -48.73 -23.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.743 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -72.97 -26.15 61.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.1 m -49.69 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.288 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.733 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -57.69 -38.34 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.609 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.21 -33.0 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.19 -35.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -53.14 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.978 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.66 -30.05 12.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.04 -45.88 25.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.31 -47.09 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.308 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.7 p -54.25 -38.9 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.679 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.68 -31.89 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.45 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.48 -48.91 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.88 -44.09 77.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 83' ' ' VAL . 3.9 m120 -66.48 -35.19 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -66.59 -53.27 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.71 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -68.45 -50.01 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -108.8 143.54 37.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.84 114.91 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -74.64 157.44 35.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.53 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.595 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.463 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 70.6 m 56.67 31.32 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.09 -26.51 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.865 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.5 mm? -74.54 -47.92 29.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.275 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.463 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.67 -33.44 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -66.29 -43.62 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.874 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.33 -36.54 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.93 -42.52 62.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.25 -38.26 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.734 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.3 m -53.99 -44.79 71.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.649 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.469 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.7 mt -72.07 -36.81 69.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.481 HD11 ' OG1' ' A' ' 82' ' ' THR . 82.0 mt -74.36 -33.4 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -71.2 -57.3 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -52.37 -36.52 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.598 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.418 ' N ' HG13 ' B' ' 14' ' ' VAL . 70.4 t80 -72.18 -41.72 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.497 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -59.06 -36.62 75.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.16 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.29 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -120.11 135.73 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.93 -45.09 0.65 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' B' ' 22' ' ' GLU . 67.7 tttt -96.05 31.0 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 21' ' ' LYS . 7.4 pt-20 -33.55 105.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.851 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.21 -29.05 9.23 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' B' ' 25' ' ' LYS . 44.8 t0 -110.11 143.13 40.62 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' B' ' 24' ' ' ASP . 55.5 mttm -43.82 172.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -45.66 135.23 6.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -174.96 124.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.266 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.47 115.25 9.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.528 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.456 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 14.1 t -70.93 167.04 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.467 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 4.4 pttm -50.29 -47.53 55.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.981 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 60.6 mttm -56.15 -50.28 71.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.2 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 29' ' ' SER . 34.7 mt-10 -48.59 -56.1 9.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.676 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.901 HD12 HG11 ' B' ' 69' ' ' VAL . 2.2 tt -67.73 -56.45 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.248 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 60.9 tttm -49.93 -48.04 52.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.047 0.451 . . . . 0.0 110.669 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' B' ' 39' ' ' THR . 69.0 mm-40 -67.85 -32.22 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.505 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.7 tt -49.2 -57.68 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.451 -178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.435 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.49 -52.47 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.045 -178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 26.5 mt-30 -48.6 -45.43 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 35' ' ' GLU . 35.6 p -64.55 -29.12 70.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.3 8.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.832 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.88 9.13 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.197 -179.511 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.5 21.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.533 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.31 -36.09 35.66 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' B' ' 46' ' ' ASP . 20.9 t80 -73.21 -56.89 4.49 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.006 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.304 -178.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.006 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.4 t70 -56.73 -29.32 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.879 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.26 -34.0 43.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' B' ' 51' ' ' ALA . 98.3 mt-30 -75.13 -29.25 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.94 -35.48 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -29.68 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.463 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -89.09 131.07 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.573 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.8 -19.86 62.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.97 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.744 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 55' ' ' ASP . 11.3 m -56.03 -44.04 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.504 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.569 ' N ' HG23 ' B' ' 54' ' ' VAL . 25.0 t0 -66.5 -29.46 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.661 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.65 -47.8 49.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -32.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.795 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.29 -27.86 49.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.17 -30.87 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.49 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -68.73 -38.36 80.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.745 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.531 ' N ' HD12 ' B' ' 61' ' ' LEU . 27.2 t70 -60.08 -63.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -39.96 -61.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.788 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.7 m-20 -87.41 24.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.42 -50.19 5.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.99 62.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.36 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.01 -166.47 40.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.63 167.01 20.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.442 -0.379 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.901 HG11 HD12 ' B' ' 33' ' ' LEU . 7.3 p -121.64 143.63 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 69' ' ' VAL . 32.1 t70 -43.7 -97.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -167.12 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.302 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.93 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -48.63 -23.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -72.98 -25.93 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.738 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.3 m -49.91 -57.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.124 -0.631 . . . . 0.0 111.281 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.738 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -57.72 -38.25 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.619 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.24 -32.97 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.28 -35.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -53.03 32.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.02 12.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.99 0.424 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.637 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.03 -45.93 25.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -69.37 -47.0 65.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.329 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.497 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.7 p -54.17 -38.98 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -66.72 -31.88 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.421 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.0 t -73.56 -48.89 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.9 -44.02 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.668 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' B' ' 83' ' ' VAL . 3.9 m120 -66.51 -35.1 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.76 -53.09 36.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.48 -50.08 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -108.72 143.63 37.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.01 114.86 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -74.55 157.49 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.581 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 2.1 p 83.56 17.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.27 -23.63 62.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.763 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -72.94 -51.3 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.131 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -32.02 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -65.19 -46.09 82.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.798 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.13 -33.14 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.07 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.813 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.32 -37.63 68.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.827 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.5 m -54.24 -49.76 68.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.884 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 75' ' ' VAL . 60.2 mt -67.48 -32.0 72.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.92 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.666 HD11 ' OG1' ' B' ' 82' ' ' THR . 78.0 mt -74.39 -49.16 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -54.5 -57.17 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.6 p -51.85 -37.14 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 64.5 t80 -72.28 -55.39 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -48.82 -28.07 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.626 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.11 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -75.12 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.667 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.44 114.87 22.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.702 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -3.31 21.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' O ' ' N ' ' A' ' 23' ' ' GLY . 10.3 tttt -94.88 0.51 54.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.314 . . . . 0.0 110.448 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.07 75.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.053 0.454 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -67.37 -19.29 70.45 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 25' ' ' LYS . 39.0 m-20 -108.17 161.35 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.453 -0.373 . . . . 0.0 110.065 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 24' ' ' ASP . 32.2 mttm -19.86 128.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.615 0.572 . . . . 0.0 111.849 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -100.06 117.22 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.362 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -140.14 151.62 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -135.66 129.31 32.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 163.77 23.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.328 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 17.1 pttp -50.65 -45.05 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 22.1 mtpp -59.08 -50.09 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.29 -47.72 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.628 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.01 -56.05 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HE2' HE22 ' A' ' 38' ' ' GLN . 79.0 tttt -49.98 -41.59 47.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.204 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 39' ' ' THR . 77.0 mm-40 -72.45 -32.79 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.306 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -49.81 -57.33 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.66 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.73 -55.81 10.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.845 -179.091 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.5 mt-30 -48.24 -48.65 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -60.58 -29.99 69.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.57 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -82.34 -52.46 6.9 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.257 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.33 27.98 8.79 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.958 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -48.07 -47.32 34.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.687 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.25 -35.07 38.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.9 t80 -74.09 -56.78 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.003 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.04 -12.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.311 -178.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.003 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.4 t0 -57.82 -29.26 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.831 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.7 -27.25 34.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.527 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ALA . 96.1 mt-30 -72.18 -22.0 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -43.98 -26.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 67.7 t0 -64.7 -35.43 81.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.642 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -88.11 123.47 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -69.98 -19.75 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.76 -27.66 12.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.1 m -53.26 -43.02 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 54' ' ' VAL . 3.3 t70 -72.24 -29.73 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.26 -47.36 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -72.05 -38.51 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.4 mmt -51.0 -27.96 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.524 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -55.69 -32.03 62.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.46 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.91 -37.39 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' ' 61' ' ' LEU . 42.9 t0 -53.33 -50.56 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.34 -31.09 20.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . 63.2 m-20 -83.0 24.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.0 -46.45 0.07 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -110.73 -8.53 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -175.01 44.82 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.879 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.81 -175.0 3.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.433 -0.383 . . . . 0.0 110.225 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.752 HG11 HD12 ' A' ' 33' ' ' LEU . 9.1 p -138.78 137.82 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.376 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' VAL . 51.3 t0 -35.43 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -176.73 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.134 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.696 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.7 mp0 -50.78 -34.86 29.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.208 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.18 -26.07 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.501 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 29.4 m -57.81 -60.22 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.49 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.4 p -53.46 -38.75 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 110.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.59 -38.27 53.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.27 -32.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.214 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.08 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.095 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.38 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.547 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.0 -42.08 40.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.678 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.2 t -72.08 -47.67 49.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.251 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' N ' ' CG2' ' A' ' 82' ' ' THR . 8.6 p -53.14 -37.54 27.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -68.79 -39.84 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.295 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.5 t -73.64 -41.57 62.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -55.95 -36.68 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 90' ' ' TRP . 16.7 m-20 -60.79 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.8 -51.01 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -62.89 -47.9 81.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.363 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 87' ' ' ASN . 8.5 m95 -104.28 112.24 25.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -137.83 26.92 2.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -54.23 -32.75 56.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.572 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 2.1 p 83.46 17.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.42 -23.57 61.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.762 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -72.95 -51.4 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -32.08 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -65.25 -45.93 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -33.13 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.16 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.789 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.21 -37.73 69.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.798 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.5 m -54.09 -49.94 67.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' B' ' 75' ' ' VAL . 60.3 mt -67.4 -31.99 72.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.678 HD11 ' OG1' ' A' ' 82' ' ' THR . 77.5 mt -74.4 -49.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.46 -57.14 12.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.6 p -51.97 -37.13 20.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 64.4 t80 -72.25 -55.38 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -48.84 -28.07 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.16 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -74.98 -100.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.761 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.47 114.95 22.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.28 -3.21 21.24 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' B' ' 23' ' ' GLY . 10.3 tttt -94.96 0.49 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 110.402 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.94 75.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.45 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -67.27 -19.3 70.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' B' ' 25' ' ' LYS . 38.9 m-20 -108.24 161.31 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.367 -0.416 . . . . 0.0 110.038 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' B' ' 24' ' ' ASP . 32.1 mttm -19.84 128.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.698 0.624 . . . . 0.0 111.839 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.4 OUTLIER -100.07 117.37 34.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.35 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -140.18 151.61 45.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.34 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -135.58 129.33 32.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -69.08 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.32 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 17.1 pttp -50.62 -45.08 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 22.2 mtpp -59.1 -50.05 75.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -48.27 -47.69 36.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.749 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -73.02 -56.1 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HE2' HE22 ' B' ' 38' ' ' GLN . 79.0 tttt -49.93 -41.57 46.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.655 ' O ' HG23 ' B' ' 39' ' ' THR . 77.1 mm-40 -72.47 -32.79 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.337 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.519 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.85 -57.3 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.652 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.444 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.64 -55.83 10.2 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.86 -179.158 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.5 mt-30 -48.3 -48.64 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.7 p -60.55 -29.99 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.685 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -82.29 -52.41 6.96 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.364 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.4 28.03 8.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.988 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.617 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -48.05 -47.32 33.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.06 38.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.6 t80 -74.07 -56.93 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.992 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -49.9 -12.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.992 ' N ' HD23 ' B' ' 45' ' ' LEU . 13.5 t0 -57.73 -29.3 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.851 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -27.35 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 51' ' ' ALA . 96.1 mt-30 -72.07 -22.08 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -44.07 -26.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 67.8 t0 -64.82 -35.39 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.469 ' O ' HG13 ' B' ' 54' ' ' VAL . . . -88.12 123.39 32.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.83 -19.79 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.62 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.9 m -53.19 -43.11 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.552 ' N ' HG23 ' B' ' 54' ' ' VAL . 3.3 t70 -72.17 -29.68 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.29 -47.35 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -38.41 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.537 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -51.14 -27.86 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -55.75 -31.97 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.45 -63.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.685 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -66.03 -37.33 85.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.525 ' N ' HD12 ' B' ' 61' ' ' LEU . 43.3 t0 -53.27 -50.6 64.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.34 -30.98 20.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.487 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' B' ' 67' ' ' GLY . 63.1 m-20 -83.1 24.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.497 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.01 -46.36 0.07 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -110.83 -8.52 14.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.41 -175.03 44.81 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.228 -0.51 . . . . 0.0 111.909 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.8 -175.04 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.416 -0.392 . . . . 0.0 110.219 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 HD12 ' B' ' 33' ' ' LEU . 9.1 p -138.76 137.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 69' ' ' VAL . 51.4 t0 -35.34 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -176.6 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.132 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.688 ' O ' HG22 ' B' ' 75' ' ' VAL . 2.7 mp0 -50.71 -35.01 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.263 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.15 -22.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.724 0.297 . . . . 0.0 111.274 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -64.05 -26.17 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.548 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.759 HG23 ' N ' ' B' ' 76' ' ' VAL . 29.1 m -57.82 -60.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.374 -0.531 . . . . 0.0 111.518 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.759 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.4 p -53.59 -38.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.574 0.226 . . . . 0.0 110.928 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.54 -38.27 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -32.85 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.155 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.9 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.098 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.44 72.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.653 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.01 -42.02 40.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.666 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.2 t -72.04 -47.8 49.05 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.181 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.516 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.5 p -53.08 -37.57 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.419 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -68.94 -39.74 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.253 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.6 t -73.6 -41.49 62.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -56.03 -36.6 68.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.474 ' O ' ' O ' ' B' ' 90' ' ' TRP . 17.2 m-20 -60.92 -34.66 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.457 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -56.79 -51.02 70.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.409 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.94 -47.88 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.474 ' O ' ' O ' ' B' ' 87' ' ' ASN . 8.5 m95 -104.23 112.31 25.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.458 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -137.8 26.78 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -54.16 -32.68 56.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.575 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER 157.52 25.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.884 0.374 . . . . 0.0 110.406 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' B' ' 10' ' ' THR . 78.5 mm-40 -67.46 -25.65 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -74.36 -50.67 17.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.168 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -37.58 55.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.14 -34.47 68.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.75 -40.76 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -71.78 -40.47 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.676 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -54.38 -53.06 59.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 75' ' ' VAL . 32.7 mt -64.46 -39.13 93.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.55 -37.19 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.657 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.68 -53.77 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.68 -36.69 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.18 -57.14 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.646 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.92 -29.84 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -74.87 -100.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -120.4 115.08 22.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -1.67 22.06 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -96.56 -10.16 27.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.274 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 80.75 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.186 0.517 . . . . 0.0 110.564 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.0 -15.5 81.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 25' ' ' LYS . 2.1 p30 -98.76 161.2 13.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.524 -0.338 . . . . 0.0 110.196 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 24' ' ' ASP . 60.2 mttp -20.25 124.98 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.696 0.622 . . . . 0.0 111.823 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.557 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 1.4 p90 -99.96 134.23 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.459 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -140.1 136.48 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.493 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.75 159.49 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -50.45 -35.58 29.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.658 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 62.3 mttp -51.7 -40.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.37 -48.64 19.21 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -65.04 -56.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.989 -179.124 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.84 -43.23 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.475 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 31' ' ' LYS . 68.7 mm-40 -72.15 -31.99 66.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.2 tt -48.93 -57.24 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -69.59 -55.35 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.321 -179.624 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.62 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.2 mt-30 -48.43 -48.83 37.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 35' ' ' GLU . 43.1 p -61.47 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.612 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.11 -52.23 7.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.24 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.89 28.36 8.53 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.781 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.62 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.46 -51.36 15.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.47 -32.87 49.84 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.746 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.6 t80 -72.69 -60.59 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.461 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.43 -16.23 0.54 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.123 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.6 t70 -56.53 -30.29 62.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.065 0.459 . . . . 0.0 109.787 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.96 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.295 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 51' ' ' ALA . 89.5 mt-30 -83.96 -23.29 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.0 -29.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.37 -28.47 69.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.413 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.05 131.58 37.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -71.23 -19.57 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.55 -32.24 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.9 m -53.59 -47.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.624 ' N ' HG23 ' A' ' 54' ' ' VAL . 13.8 t0 -66.36 -29.19 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.746 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.44 -45.55 46.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -75.05 -32.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.436 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.68 62.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.397 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -56.4 -30.86 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.264 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.9 -63.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.69 -38.15 88.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.498 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.561 ' N ' HD12 ' A' ' 61' ' ' LEU . 24.2 t70 -58.49 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 81.8 tt0 -39.96 -61.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.509 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 67' ' ' GLY . 84.2 m-20 -101.5 24.61 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.217 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -59.83 -22.34 62.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.788 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -90.65 -170.75 43.48 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.43 134.72 36.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.419 -0.391 . . . . 0.0 110.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 70' ' ' ASP . 13.7 p -105.16 157.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' OD1' ' CD1' ' A' ' 26' ' ' TYR . 20.6 t0 -47.83 -103.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.529 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 28.4 t80 -163.59 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.9 mp0 -50.9 -40.96 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -47.98 -22.6 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.161 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.755 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.72 -26.01 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 28.6 m -50.29 -60.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.6 p -55.12 -37.25 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.772 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.76 -37.61 52.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.16 -32.55 54.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -65.06 -41.85 94.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.105 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.73 -44.51 58.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.108 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.2 tt -76.49 -31.71 57.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -55.41 -62.15 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 5.2 p -55.2 -39.51 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.57 -36.91 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -72.41 -41.03 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.71 -45.28 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 84.7 m-20 -62.05 -34.21 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -54.14 -43.35 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.06 -50.1 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 11.1 m95 -103.36 124.34 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.576 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -90.14 -24.06 21.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.478 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 93' ' ' SER . 4.5 p30 -51.9 -38.72 57.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 17.9 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.9 OUTLIER 157.52 25.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.321 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 78.5 mm-40 -67.5 -25.66 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.839 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.6 mm? -74.34 -50.53 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.269 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -37.55 56.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.1 -42.46 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.14 -34.32 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.682 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.89 -40.68 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.81 -40.52 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.1 m -54.31 -53.08 58.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' B' ' 75' ' ' VAL . 32.6 mt -64.51 -39.04 93.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.59 -37.22 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.685 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -58.59 -53.86 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.68 -36.56 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.718 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.34 -57.07 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.07 91.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -75.06 -100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -120.47 115.14 22.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.15 -1.72 22.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -96.57 -10.14 27.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.31 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 80.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.124 0.488 . . . . 0.0 110.527 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.13 -15.39 81.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.984 -1.247 . . . . 0.0 109.984 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' B' ' 25' ' ' LYS . 2.1 p30 -98.86 161.19 13.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' B' ' 24' ' ' ASP . 60.2 mttp -20.29 125.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.73 0.644 . . . . 0.0 111.812 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.554 ' CD1' ' OD1' ' B' ' 70' ' ' ASP . 1.4 p90 -100.03 134.3 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -140.18 136.54 33.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -139.56 115.84 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.68 159.47 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -50.4 -35.65 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' B' ' 35' ' ' GLU . 62.3 mttp -51.65 -40.31 59.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.277 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.32 -48.74 19.0 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.436 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' B' ' 74' ' ' TYR . 0.5 OUTLIER -64.87 -56.59 12.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.993 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.83 -43.26 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.431 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 31' ' ' LYS . 68.6 mm-40 -72.14 -31.98 66.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.513 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -48.97 -57.15 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.108 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.541 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -69.55 -55.37 10.34 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.323 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.3 mt-30 -48.47 -48.81 37.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 35' ' ' GLU . 43.4 p -61.48 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.647 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.08 -52.27 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.234 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.8 28.3 8.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.779 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.627 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.52 -51.22 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -32.91 49.69 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.792 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.1 t80 -72.84 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.442 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 1.043 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -51.27 -16.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.24 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 1.043 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.6 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 109.799 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.47 -21.81 38.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.311 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' B' ' 51' ' ' ALA . 89.3 mt-30 -84.08 -23.28 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.662 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -43.95 -29.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.36 -28.45 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.426 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -93.09 131.66 37.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.624 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.3 -19.48 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.67 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.22 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.629 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.1 m -53.6 -47.37 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.629 ' N ' HG23 ' B' ' 54' ' ' VAL . 13.7 t0 -66.3 -29.18 69.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.51 -45.39 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.457 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.6 OUTLIER -75.11 -32.9 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.38 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.78 62.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.31 -30.93 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.91 -63.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.563 ' N ' HD12 ' B' ' 61' ' ' LEU . 24.3 t70 -58.49 -50.11 74.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -39.91 -61.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' B' ' 67' ' ' GLY . 84.1 m-20 -101.33 24.59 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.591 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.0 p30 -59.92 -22.36 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.329 . . . . 0.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.591 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -90.59 -170.72 43.54 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.706 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.4 134.8 36.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.438 -0.381 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' B' ' 70' ' ' ASP . 13.6 p -105.28 157.56 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.608 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CD1' ' B' ' 26' ' ' TYR . 20.5 t0 -47.75 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.498 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 28.2 t80 -163.52 -58.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.689 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.8 mp0 -50.87 -40.95 57.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.01 -22.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.696 0.284 . . . . 0.0 111.228 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.734 ' HB2' HD21 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -67.83 -25.98 65.83 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.758 HG23 ' H ' ' B' ' 76' ' ' VAL . 28.9 m -50.3 -60.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.897 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.758 ' H ' HG23 ' B' ' 75' ' ' VAL . 1.6 p -55.23 -37.17 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.738 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.68 -37.69 51.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.07 -32.62 54.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.588 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -65.08 -41.92 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.106 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -44.56 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.117 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.747 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.2 tt -76.44 -31.77 58.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -55.48 -62.02 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 5.2 p -55.26 -39.49 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.61 -36.94 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.4 -40.98 66.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -60.72 -45.26 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.477 ' O ' ' O ' ' B' ' 90' ' ' TRP . 84.7 m-20 -62.11 -34.19 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -54.16 -43.26 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -73.15 -50.06 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.477 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.1 m95 -103.25 124.27 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -90.0 -24.19 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 93' ' ' SER . 4.5 p30 -51.94 -38.67 57.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 18.0 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.822 0.344 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -72.45 -26.06 61.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.3 mm? -74.27 -48.34 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.487 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -31.9 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.49 -44.81 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.145 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.88 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.42 -37.15 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.1 m -54.06 -47.83 71.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.44 HD13 ' CG1' ' A' ' 75' ' ' VAL . 31.1 mt -69.45 -36.69 76.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.1 -40.97 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.83 -56.82 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.7 p -51.85 -43.07 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.74 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.533 ' N ' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -71.84 -41.77 67.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.54 70.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -67.76 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.4 p -120.13 147.52 44.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.19 -45.09 0.82 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.4 tttm . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.388 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.826 0.346 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -72.09 167.95 19.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 43.2 pttt -50.41 -45.77 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 96.6 mttt -56.98 -49.91 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.54 -56.87 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.701 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 HG11 ' A' ' 69' ' ' VAL . 1.8 tt -59.77 -50.97 71.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.669 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE2' HE22 ' A' ' 38' ' ' GLN . 82.3 tttt -56.82 -49.39 75.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.643 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 39' ' ' THR . 79.9 mm-40 -67.51 -32.4 73.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.66 -57.56 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.485 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.32 -50.97 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.845 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 99.3 mt-30 -48.3 -43.92 33.41 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.305 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.507 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 29.2 p -65.2 -29.36 70.17 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.69 -50.52 9.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.16 28.11 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.249 -179.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -52.17 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 -31.66 52.58 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.816 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.1 t80 -74.04 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.625 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.32 -15.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.482 -179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.8 t0 -57.53 -29.28 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.839 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.4 40.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -78.24 -22.61 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.92 -29.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.81 -31.38 72.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -90.52 129.26 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.626 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.95 -19.53 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.18 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.736 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.5 m -53.85 -46.26 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG23 ' A' ' 54' ' ' VAL . 12.2 t0 -68.6 -29.34 67.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.73 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.76 -46.74 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -32.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.64 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.92 -27.74 53.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -52.9 -31.09 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.75 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -67.17 -39.15 86.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' ' 61' ' ' LEU . 26.1 t70 -51.97 -41.15 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 -26.89 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 65' ' ' GLY . 92.5 m-20 -85.43 24.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -28.22 -50.34 0.09 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.65 -11.74 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.54 -175.16 44.61 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.83 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -135.62 -174.99 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.208 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.726 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -137.76 139.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' VAL . 12.8 t70 -35.13 -88.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -177.62 -74.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 12.9 mp0 -51.25 -32.56 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.776 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.42 -22.76 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.606 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -68.25 -27.01 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.0 m -50.59 -59.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.145 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.8 p -52.64 -38.79 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.818 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.6 -33.41 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 82' ' ' THR . 58.3 t -70.19 -38.19 73.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.32 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.69 92.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.78 -34.8 28.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.916 0.388 . . . . 0.0 110.183 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.44 -33.52 58.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 78' ' ' VAL . 69.2 p -67.14 -56.58 9.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 6.1 p -49.01 -38.92 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.456 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -64.61 -46.18 83.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -57.32 -36.9 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 97.4 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.872 0.368 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -72.44 -25.99 61.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.787 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.3 mm? -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.416 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.92 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.17 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.59 -44.69 77.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.131 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.15 -32.82 67.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.38 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.94 -43.21 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.36 -37.2 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.9 m -53.99 -47.89 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.819 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' CG1' ' B' ' 75' ' ' VAL . 30.6 mt -69.44 -36.56 76.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.18 -40.95 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.87 -56.88 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.7 p -51.87 -42.98 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 31.2 t80 -71.9 -41.74 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -58.05 -30.42 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.58 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -67.8 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.6 p -120.19 147.45 44.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.12 -45.15 0.82 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.789 0.328 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -71.95 167.93 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.237 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 43.3 pttt -50.47 -45.79 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 96.7 mttt -56.93 -49.89 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.02 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.6 -56.87 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.727 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 HG11 ' B' ' 69' ' ' VAL . 1.8 tt -59.79 -50.9 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.736 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.46 ' HE2' HE22 ' B' ' 38' ' ' GLN . 82.3 tttt -56.84 -49.36 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 0.0 110.602 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.507 ' O ' HG23 ' B' ' 39' ' ' THR . 79.9 mm-40 -67.56 -32.43 73.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.12 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.523 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.69 -57.56 7.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.467 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.441 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.2 -51.06 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.869 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' B' ' 42' ' ' SER . 99.4 mt-30 -48.27 -43.86 33.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.408 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.507 HG23 ' O ' ' B' ' 35' ' ' GLU . 28.6 p -65.27 -29.4 70.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -50.63 9.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.908 179.414 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.19 28.16 8.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.234 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.85 -52.14 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.8 -31.76 52.45 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.221 -0.514 . . . . 0.0 111.819 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.8 t80 -73.97 -59.72 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.659 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.055 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.27 -15.01 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.526 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.055 ' N ' HD23 ' B' ' 45' ' ' LEU . 11.8 t0 -57.62 -29.25 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.113 0.482 . . . . 0.0 109.852 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.92 -25.47 40.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' ALA . 95.8 mt-30 -78.17 -22.68 48.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.99 -29.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.72 -31.54 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -90.41 129.27 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.1 -19.5 62.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.73 -27.27 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.606 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.6 m -53.91 -46.22 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.606 ' N ' HG23 ' B' ' 54' ' ' VAL . 12.2 t0 -68.5 -29.44 68.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -49.74 -46.7 50.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.81 -32.91 29.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.653 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.94 -27.67 53.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -52.95 -31.03 38.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.66 -63.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.583 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -67.13 -39.26 86.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.583 ' N ' HD12 ' B' ' 61' ' ' LEU . 26.0 t70 -51.92 -41.18 61.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.05 -26.91 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' B' ' 65' ' ' GLY . 92.4 m-20 -85.47 24.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -28.32 -50.24 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -110.71 -11.62 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.53 -175.06 44.63 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -135.73 -174.96 3.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.124 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.723 HG11 HD12 ' B' ' 33' ' ' LEU . 5.9 p -137.78 139.1 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 69' ' ' VAL . 12.9 t70 -35.21 -88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.815 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -177.8 -74.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 12.9 mp0 -51.3 -32.51 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.36 -22.78 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -68.27 -26.95 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.764 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.0 m -50.47 -60.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.364 -0.535 . . . . 0.0 111.187 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -52.67 -38.78 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.72 -33.31 33.96 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.772 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' HG23 ' B' ' 82' ' ' THR . 59.3 t -70.29 -38.15 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.184 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.61 91.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -34.93 28.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.956 0.407 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.677 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.27 -33.58 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 78' ' ' VAL . 69.8 p -67.14 -56.53 9.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 87' ' ' ASN . 6.1 p -49.09 -38.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.411 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.51 -46.22 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.29 -44.41 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -57.26 -36.96 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' B' ' 83' ' ' VAL . 97.4 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.516 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.346 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -22.96 61.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -74.36 -49.62 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -32.53 40.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.338 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 m -66.8 -41.8 86.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.01 -33.73 70.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.2 -41.14 68.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.11 -40.7 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.771 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -53.96 -45.94 71.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.695 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 75' ' ' VAL . 34.9 mt -71.91 -34.59 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.55 -43.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -63.35 -56.21 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -51.87 -38.89 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.557 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 64.1 t80 -72.2 -50.64 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.6 -27.26 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.2 75.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.7 -99.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -113.54 143.69 44.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.0 -45.22 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 tttt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.329 . . . . 0.0 110.508 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.761 0.315 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.37 166.29 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.21 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 42.5 pttt -50.64 -45.77 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.318 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 81.4 mttt -58.47 -50.13 74.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.617 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.4 37.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -75.14 -55.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.45 -42.29 66.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.491 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 80.3 mm-40 -71.63 -33.16 68.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.278 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.3 tt -50.01 -57.55 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.312 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.94 -54.93 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.631 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.7 mt-30 -48.33 -49.46 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.1 p -59.82 -29.85 68.53 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.68 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.25 -52.32 7.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.281 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.13 28.44 8.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.932 -179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -50.62 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.996 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.23 34.93 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.3 t80 -68.83 -60.16 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.621 0.248 . . . . 0.0 111.592 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.351 -179.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 t0 -55.2 -27.02 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 109.792 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 -25.12 30.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.443 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.44 -27.21 38.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -43.93 -31.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.408 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.75 -28.38 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.81 134.03 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 45.4 p-10 -71.18 -19.45 62.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.42 -28.41 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 55' ' ' ASP . 21.4 m -55.38 -47.47 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.0 t70 -64.54 -29.17 70.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.775 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -49.42 -45.59 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -74.28 -32.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.464 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.8 -30.4 67.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.544 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.78 -30.73 34.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.53 -56.99 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 3.2 pp -76.0 -25.15 55.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.862 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -46.48 89.33 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.4 -28.15 18.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' GLY . 90.5 m-20 -88.81 24.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.494 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -29.12 -46.54 0.07 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.64 -13.69 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.457 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.39 -173.95 44.72 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.63 -174.9 3.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.228 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.784 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -136.85 138.23 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.429 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 69' ' ' VAL . 13.6 t70 -34.23 -95.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -169.75 -75.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.245 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 75' ' ' VAL . 10.6 mp0 -51.63 -31.55 25.73 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.69 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -48.09 -22.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.676 0.274 . . . . 0.0 111.452 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -66.29 -27.33 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.742 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.0 m -51.0 -60.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.359 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -53.93 -37.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.811 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.55 -38.49 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 HD12 ' B' ' 4' ' ' LEU . 39.9 t -67.29 -32.68 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.627 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -66.69 -41.81 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -43.8 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.7 tt -76.45 -32.47 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.084 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -54.64 -58.9 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.0 p -58.44 -37.21 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.37 -51.74 64.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.568 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.85 -40.16 95.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -23.05 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.783 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -74.22 -49.74 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.29 -32.61 38.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.386 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.4 m -66.83 -41.67 87.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.05 -33.81 70.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.17 -41.12 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.07 -40.69 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.744 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.95 -45.82 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' B' ' 75' ' ' VAL . 34.6 mt -72.06 -34.61 68.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.43 -43.72 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.42 -56.22 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.017 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.5 p -51.8 -38.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.66 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 64.1 t80 -72.32 -50.6 25.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.58 -27.34 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.3 75.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.69 -99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -113.56 143.79 43.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.09 -45.23 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 70.0 tttt . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.559 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.702 0.287 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.39 166.21 22.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.153 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 42.4 pttt -50.43 -45.89 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 81.3 mttt -58.47 -50.07 75.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.679 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -43.23 38.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.774 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -75.06 -55.32 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -53.46 -42.21 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.993 0.425 . . . . 0.0 110.529 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -71.71 -33.0 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.346 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.525 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.2 tt -50.17 -57.51 7.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.242 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.555 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -67.95 -54.91 15.02 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.639 -179.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.6 mt-30 -48.33 -49.49 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.1 p -59.76 -29.92 68.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.703 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.22 -52.27 7.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.294 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.504 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.06 28.35 8.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.993 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.619 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.66 -50.56 13.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.77 -37.3 34.52 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.421 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.4 t80 -68.72 -60.27 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.61 0.243 . . . . 0.0 111.557 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.048 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.49 -15.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.426 -179.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.048 ' N ' HD23 ' B' ' 45' ' ' LEU . 7.4 t0 -55.24 -27.06 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.04 -25.11 30.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.5 -27.12 37.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.71 -28.49 67.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.75 134.03 39.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.683 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 45.2 p-10 -71.17 -19.46 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.52 -28.34 13.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.617 HG23 ' N ' ' B' ' 55' ' ' ASP . 21.5 m -55.39 -47.5 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 110.354 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.0 t70 -64.52 -29.31 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -49.37 -45.6 46.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.434 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.29 -32.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.77 -30.47 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.559 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -52.76 -30.75 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.747 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -68.48 -57.06 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -75.83 -25.23 56.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.932 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -46.53 89.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.36 -28.22 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 90.6 m-20 -88.71 24.48 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -29.08 -46.51 0.07 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.65 -13.78 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.466 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.31 -173.86 44.82 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.877 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.67 -174.97 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.243 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.774 HG11 HD12 ' B' ' 33' ' ' LEU . 6.0 p -136.83 138.21 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.416 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' B' ' 69' ' ' VAL . 13.8 t70 -34.22 -95.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -169.73 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.263 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.727 ' O ' HG22 ' B' ' 75' ' ' VAL . 10.6 mp0 -51.67 -31.51 26.04 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.707 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -48.13 -22.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.497 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -66.22 -27.41 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.755 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.2 m -51.0 -60.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.348 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.755 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -53.98 -37.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.846 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.5 -38.48 54.25 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.426 HG21 HD12 ' A' ' 4' ' ' LEU . 40.0 t -67.37 -32.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.515 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -66.66 -41.9 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -43.83 57.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.716 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.7 tt -76.48 -32.38 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.038 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -54.73 -58.88 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.412 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.1 p -58.44 -37.17 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.412 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.43 -51.66 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.592 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.89 -40.11 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.702 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.629 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.98 -22.78 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.5 mm? -74.33 -48.91 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -33.2 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.204 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -63.52 -43.44 97.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.752 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.78 -34.46 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -53.96 -41.57 67.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -71.95 -39.94 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.757 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -54.05 -46.38 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.1 mt -71.55 -35.55 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -34.83 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.41 -56.4 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.006 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.0 p -51.79 -39.15 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.793 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 67.7 t80 -71.24 -43.55 67.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.648 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -57.91 -33.05 68.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -72.1 -100.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.2 132.45 55.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -41.4 0.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 tttp . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.454 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 82.1 mt . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.726 0.298 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -97.95 169.71 9.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.63 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 15.9 pttp -50.44 -45.13 55.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 23.6 mtpp -67.63 -49.32 63.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -47.67 -56.52 7.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.959 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 HG11 ' A' ' 69' ' ' VAL . 1.1 tt -60.69 -56.06 25.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.95 -45.09 74.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' THR . 79.6 mm-40 -71.29 -32.66 68.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -50.0 -57.27 7.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.314 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.84 -55.7 10.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.702 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.0 mt-30 -48.28 -46.76 36.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' GLU . 53.2 p -62.27 -30.13 70.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.55 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.31 -52.38 6.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.352 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.52 28.12 8.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -49.51 14.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.0 -38.58 30.0 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' N ' ' A' ' 46' ' ' ASP . 28.8 t80 -67.46 -60.36 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.452 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.241 -179.187 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.3 t70 -55.96 -30.01 61.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.982 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.79 -18.87 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.2 mt-30 -89.0 -24.19 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.77 -31.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -61.31 -27.74 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.78 130.06 39.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -68.95 -19.45 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.85 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.582 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.1 m -51.48 -44.71 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.179 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.582 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.2 t70 -65.91 -29.5 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.64 -45.16 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -74.56 -32.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 mmt -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.82 -30.79 35.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.3 -25.16 65.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLY . 26.3 t70 -58.93 -45.47 90.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.495 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -49.7 -27.47 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.252 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLY . 76.9 m-20 -88.54 24.45 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.452 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 30' ' ' LYS . . . -30.59 -46.45 0.12 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -111.54 -10.3 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -173.03 44.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 121.617 0.565 . . . . 0.0 112.377 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -131.65 -174.83 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.186 -0.507 . . . . 0.0 110.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.733 HG11 HD12 ' A' ' 33' ' ' LEU . 14.2 p -141.15 140.46 32.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.76 0.314 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 27.8 t70 -46.19 -103.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.68 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -158.42 -72.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.402 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.703 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.1 mp0 -50.86 -34.61 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -48.51 -22.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.669 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.45 63.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.488 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.782 HG23 ' H ' ' A' ' 76' ' ' VAL . 34.5 m -50.21 -60.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.614 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.782 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.7 p -53.83 -37.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.831 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.63 -39.42 58.04 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.16 -32.55 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -64.98 -43.01 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.033 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.41 56.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.36 -31.95 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.7 m -56.44 -61.79 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.719 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 84' ' ' ALA . 7.6 p -55.52 -39.02 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.702 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -56.99 -52.18 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.71 -39.33 76.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -58.9 -40.01 83.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.418 HD21 HG22 ' A' ' 83' ' ' VAL . 78.9 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.904 0.383 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.93 -22.85 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.785 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.5 mm? -74.28 -48.91 25.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -33.23 56.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -63.46 -43.48 97.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.79 -34.5 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.03 -41.47 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.97 -39.99 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.734 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.752 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -53.99 -46.37 71.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 HG12 ' B' ' 75' ' ' VAL . 26.3 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.825 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.21 -35.01 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.33 -56.28 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -51.84 -39.28 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.452 ' N ' HG13 ' B' ' 14' ' ' VAL . 67.5 t80 -71.11 -43.52 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -57.93 -33.09 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.43 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -72.17 -100.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.615 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.23 132.53 55.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.11 -41.42 0.83 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 tttp . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.478 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 69' ' ' VAL . 81.7 mt . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.659 0.266 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -98.06 169.7 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' B' ' 65' ' ' GLY . 16.0 pttp -50.43 -45.19 55.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 23.7 mtpp -67.48 -49.33 64.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.303 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' B' ' 36' ' ' LEU . 37.5 mm-40 -47.69 -56.49 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.976 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.719 HD12 HG11 ' B' ' 69' ' ' VAL . 1.1 tt -60.6 -56.2 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.784 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.82 -45.17 74.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 110.46 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.66 ' O ' HG23 ' B' ' 39' ' ' THR . 79.6 mm-40 -71.24 -32.73 69.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.05 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.97 -57.24 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.397 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.514 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.76 -55.73 10.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.73 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.9 mt-30 -48.21 -46.92 35.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 35' ' ' GLU . 54.7 p -62.15 -30.17 70.86 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.577 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.37 -52.27 7.06 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.342 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.63 28.19 8.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.9 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.75 -49.5 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 -38.54 30.05 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' B' ' 46' ' ' ASP . 28.8 t80 -67.44 -60.36 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.507 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.042 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.62 -15.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.288 -179.239 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.042 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.3 t70 -56.1 -29.96 61.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.899 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.7 -18.94 46.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -88.93 -24.3 22.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.8 -31.72 0.89 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.424 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -61.28 -27.77 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.72 130.07 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -68.99 -19.45 64.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.83 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.58 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.2 m -51.52 -44.62 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.965 0.412 . . . . 0.0 110.196 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.58 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.2 t70 -66.01 -29.46 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.69 -45.16 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER -74.41 -32.97 32.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmt -59.19 -35.09 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.86 -30.85 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.2 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.755 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.42 -25.11 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 65' ' ' GLY . 26.4 t70 -58.89 -45.49 90.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.593 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -49.69 -27.43 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 77.1 m-20 -88.62 24.45 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.412 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.551 ' O ' ' CD ' ' B' ' 30' ' ' LYS . . . -30.61 -46.46 0.13 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -111.48 -10.31 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.44 -173.0 44.55 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 121.532 0.518 . . . . 0.0 112.355 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -131.71 -174.74 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.057 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.719 HG11 HD12 ' B' ' 33' ' ' LEU . 14.2 p -141.22 140.41 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.756 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 69' ' ' VAL . 27.8 t70 -46.16 -103.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -158.31 -72.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.464 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.709 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.0 mp0 -50.91 -34.57 29.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -48.53 -22.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.556 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.52 63.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.776 HG23 ' N ' ' B' ' 76' ' ' VAL . 34.6 m -50.25 -60.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.536 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.776 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -53.86 -37.34 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.796 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.62 -39.45 58.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 52.0 t -65.1 -32.59 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.63 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -64.97 -43.05 93.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.007 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.43 -43.48 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.37 -31.97 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.004 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -56.42 -61.74 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.6 p -55.48 -39.14 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -56.92 -52.29 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.68 -39.26 77.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -58.96 -40.02 83.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.658 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.413 HD21 HG22 ' B' ' 83' ' ' VAL . 79.3 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.599 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.523 ' O ' ' OG ' ' A' ' 2' ' ' SER . 1.5 t . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 121.155 0.502 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -69.35 -25.97 64.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -74.32 -47.58 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.401 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -38.09 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -61.0 -41.37 96.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.324 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.16 -36.57 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.628 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.12 -43.14 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.613 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.27 -38.9 68.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.746 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.9 m -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 75' ' ' VAL . 27.5 mt -72.34 -34.21 67.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -74.35 -35.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -67.74 -57.3 6.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.2 p -52.57 -40.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.703 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 62.0 t80 -69.22 -41.2 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.69 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -61.46 -27.07 68.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.76 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -70.92 -98.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.8 p -120.0 145.42 46.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.18 -45.0 1.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttm . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.795 0.331 . . . . 0.0 110.517 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 N--CA 1.461 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -69.32 162.83 26.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 21.9 pttm -50.73 -44.2 58.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 67.6 mttm -58.66 -50.05 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.15 -55.95 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.707 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.886 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -61.04 -52.6 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.39 -48.74 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 39' ' ' THR . 80.5 mm-40 -66.51 -32.57 74.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.037 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.5 tt -49.66 -57.42 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.248 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.16 -56.09 8.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.7 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.7 mt-30 -48.33 -48.58 36.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 35' ' ' GLU . 48.6 p -61.52 -29.83 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.722 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.14 -51.43 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.345 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.44 28.08 9.07 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.191 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -45.86 -47.55 16.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.91 0.386 . . . . 0.0 110.56 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.23 -36.66 34.22 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 46' ' ' ASP . 18.5 t80 -74.0 -55.55 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.002 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.26 -12.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.413 -178.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.002 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.1 t70 -56.26 -27.95 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 109.755 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.45 -32.26 26.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.448 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.55 -25.17 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -43.89 -32.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.441 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.05 -34.36 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -86.85 126.84 34.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.73 -20.01 62.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.09 -31.28 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 55' ' ' ASP . 23.2 m -49.4 -44.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.547 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.9 t70 -72.05 -29.84 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.05 -45.84 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.765 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -32.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.502 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.32 -27.89 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -55.28 -35.08 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.46 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.781 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -64.52 -40.7 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' LEU . 22.7 t70 -52.46 -42.04 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.7 -31.69 68.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.3 m-20 -81.83 24.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.583 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -25.99 -50.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.54 -7.78 14.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.54 -175.42 44.57 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.851 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.05 144.65 36.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.485 -0.357 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 33' ' ' LEU . 8.3 p -93.96 138.92 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.4 t70 -36.07 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -170.64 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.716 ' O ' HG22 ' A' ' 75' ' ' VAL . 8.3 mp0 -55.83 -32.9 63.98 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.27 -22.82 0.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.411 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.45 -27.33 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.5 m -50.79 -60.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.198 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.757 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -55.04 -37.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.66 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.67 -38.19 53.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.52 -32.56 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.507 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -43.57 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.104 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.52 55.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 tt -76.5 -31.86 57.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -54.99 -59.14 5.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.74 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 84' ' ' ALA . 6.8 p -57.11 -39.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -57.07 -54.06 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.0 t -63.42 -39.09 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.23 -42.88 87.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.713 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.497 ' O ' ' OG ' ' B' ' 2' ' ' SER . 1.5 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.128 0.489 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.37 -25.94 64.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.782 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.0 mm? -74.26 -47.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.418 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -37.96 64.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -61.08 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -36.65 69.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mtt -53.06 -43.22 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.16 -39.02 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.709 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.8 -45.07 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.698 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' B' ' 75' ' ' VAL . 27.2 mt -72.25 -34.18 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.8 mt -74.28 -35.61 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.006 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.74 -57.18 6.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.261 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -52.58 -40.92 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.791 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 62.1 t80 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -61.52 -27.0 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.66 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -70.85 -98.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -119.97 145.52 46.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.09 -45.11 1.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 tttm . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.822 0.344 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -69.29 162.79 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.106 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 21.9 pttm -50.59 -44.31 56.88 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.489 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 67.7 mttm -58.62 -50.15 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.07 -55.94 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.916 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -61.08 -52.55 64.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.46 -48.73 76.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 39' ' ' THR . 80.5 mm-40 -66.49 -32.54 73.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.515 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.5 tt -49.74 -57.34 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.319 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -69.11 -56.06 8.84 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.741 -179.347 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' B' ' 42' ' ' SER . 23.7 mt-30 -48.49 -48.45 37.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 35' ' ' GLU . 48.1 p -61.64 -29.72 70.25 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.685 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.21 -51.4 7.98 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.359 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.496 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.38 28.04 9.11 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.618 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -45.87 -47.58 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.474 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.14 -36.79 34.18 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' B' ' 46' ' ' ASP . 18.6 t80 -73.97 -55.53 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.993 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.23 -13.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.458 -178.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.993 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.1 t70 -56.3 -27.84 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.36 26.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.392 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.404 HE21 ' HB2' ' B' ' 45' ' ' LEU . 29.7 mt-30 -66.48 -25.1 66.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.688 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -43.97 -32.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.07 -34.31 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -86.87 126.84 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.72 -20.01 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.24 30.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.557 HG23 ' N ' ' B' ' 55' ' ' ASP . 23.3 m -49.4 -44.17 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.557 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.9 t70 -72.01 -29.77 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.09 -45.76 68.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.438 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.9 OUTLIER -72.92 -32.65 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.39 -27.88 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.73 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -55.34 -35.06 64.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.36 -63.23 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.647 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -64.43 -40.79 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.647 ' N ' HD12 ' B' ' 61' ' ' LEU . 22.7 t70 -52.44 -42.05 63.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.716 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.69 -31.6 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.659 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.5 m-20 -81.99 24.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.615 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.577 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -26.02 -50.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.57 -7.72 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.504 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.59 -175.42 44.5 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.843 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.91 144.73 37.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.541 -0.329 . . . . 0.0 110.345 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.916 HG11 HD12 ' B' ' 33' ' ' LEU . 8.2 p -94.13 138.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 69' ' ' VAL . 21.5 t70 -36.06 -95.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.635 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.9 OUTLIER -170.67 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 8.3 mp0 -55.94 -32.75 64.09 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.41 -22.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -66.43 -27.42 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.74 HG23 ' H ' ' B' ' 76' ' ' VAL . 35.5 m -50.6 -60.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.244 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.74 ' H ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -55.08 -37.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.676 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.58 -38.15 53.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 t -68.6 -32.54 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.411 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.5 79.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.17 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.61 -43.51 56.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 109.943 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.626 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.5 tt -76.48 -31.85 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.198 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -55.14 -59.1 5.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.706 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.423 HG13 ' N ' ' B' ' 84' ' ' ALA . 6.9 p -57.1 -39.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.627 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -57.01 -54.1 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.35 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.33 -42.86 87.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' A' ' 5' ' ' GLU . 26.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.889 0.376 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -72.36 -25.88 61.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.7 mm? -74.34 -48.13 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.447 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.24 -31.78 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m -68.69 -44.62 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.257 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.04 -33.82 68.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.97 -43.29 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -72.27 -37.15 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.734 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.728 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.9 m -54.24 -49.32 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.43 -37.57 87.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 83.7 mt -74.29 -37.67 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' N ' HD22 ' A' ' 13' ' ' ASN . 2.6 m120 -64.79 -56.96 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.496 HG21 HD21 ' A' ' 36' ' ' LEU . 9.7 p -51.84 -40.16 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.791 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.642 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 81.4 t80 -68.16 -46.65 70.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.347 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -57.45 -32.31 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.56 84.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.49 -99.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -120.11 127.31 52.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 tttp . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.465 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' OG ' ' OE2' ' A' ' 32' ' ' GLU . 12.3 p -72.22 168.07 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.438 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 18.6 pttp -50.7 -45.19 58.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.703 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 26.1 mtpt -61.28 -47.29 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.04 8.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HG11 ' A' ' 69' ' ' VAL . 2.7 tt -63.15 -53.94 45.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HE3' HE22 ' A' ' 38' ' ' GLN . 16.8 tttp -50.82 -49.31 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 39' ' ' THR . 80.4 mm-40 -65.77 -32.63 74.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.329 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.8 -57.54 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.486 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.32 -53.78 11.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.073 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' SER . 96.7 mt-30 -48.19 -44.07 32.4 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.668 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 35' ' ' GLU . 40.0 p -65.06 -29.29 70.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.52 -51.44 8.26 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.72 27.97 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.186 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.0 -48.73 16.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.18 -35.58 37.73 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.6 t80 -73.96 -56.31 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.017 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.16 -14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.335 -178.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.017 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.2 t70 -58.42 -26.86 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.869 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.77 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.73 -35.04 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -89.35 126.93 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.618 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 55.8 p30 -70.87 -19.8 62.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.85 -32.53 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 55' ' ' ASP . 17.1 m -52.59 -43.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.3 t70 -68.75 -29.61 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -49.76 -46.88 51.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.88 -33.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.758 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.32 -27.7 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.606 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.78 -31.08 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.9 -63.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -67.26 -35.89 80.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' N ' HD12 ' A' ' 61' ' ' LEU . 46.0 t0 -57.22 -52.02 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.689 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -58.13 -26.1 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . 56.9 m-20 -81.37 24.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.13 -48.54 0.1 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.7 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 110.355 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.28 -175.32 44.95 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.68 -174.84 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.853 HG11 HD12 ' A' ' 33' ' ' LEU . 7.1 p -137.63 141.78 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -42.38 -90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.699 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -174.09 -57.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.463 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.698 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.6 mp0 -71.24 -29.29 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -48.08 -22.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.657 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -68.0 -27.03 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 30.8 m -50.79 -60.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.154 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -54.52 -38.7 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.74 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.95 -33.17 36.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.641 -0.424 . . . . 0.0 109.89 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.3 -36.51 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -50.97 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.94 -31.61 18.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.9 tt -76.75 -45.44 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.246 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.599 ' OG1' HD11 ' B' ' 12' ' ' ILE . 0.7 OUTLIER -71.91 -47.43 52.65 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.25 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' NE2' ' B' ' 72' ' ' GLN . 8.1 p -51.47 -40.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.466 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -69.43 -35.14 75.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.302 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.9 -50.52 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.44 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -55.83 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.484 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 96.1 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.455 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' CD ' ' B' ' 5' ' ' GLU . 26.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.861 0.363 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -72.37 -25.85 61.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.805 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -74.33 -48.13 30.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.15 -31.91 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -68.61 -44.6 73.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.25 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.18 -33.69 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.592 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.95 -43.39 63.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.505 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.21 -37.19 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.74 HG21 ' HB2' ' A' ' 7' ' ' ALA . 17.8 m -54.21 -49.39 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.751 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.39 -37.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.599 HD11 ' OG1' ' A' ' 82' ' ' THR . 83.9 mt -74.3 -37.65 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.425 ' N ' HD22 ' B' ' 13' ' ' ASN . 2.7 m120 -64.83 -56.91 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.502 HG21 HD21 ' B' ' 36' ' ' LEU . 9.6 p -51.82 -40.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.651 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 81.4 t80 -68.22 -46.65 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -57.35 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.5 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.46 -99.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -120.15 127.28 52.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 tttp . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.352 . . . . 0.0 110.465 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.733 0.302 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.468 ' OG ' ' OE2' ' B' ' 32' ' ' GLU . 12.2 p -72.1 168.13 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.419 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.522 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 18.8 pttp -50.87 -45.06 59.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.522 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 26.0 mtpt -61.35 -47.28 86.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.1 8.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.672 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.863 HD12 HG11 ' B' ' 69' ' ' VAL . 2.7 tt -63.03 -54.03 44.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HE3' HE22 ' B' ' 38' ' ' GLN . 16.7 tttp -50.74 -49.36 58.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.528 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -65.76 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.273 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.511 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.77 -57.53 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.532 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.437 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.37 -53.6 11.85 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.124 -178.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 96.6 mt-30 -48.33 -44.05 33.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.636 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 35' ' ' GLU . 40.0 p -65.03 -29.3 70.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.36 8.33 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.855 179.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.48 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.76 27.96 9.05 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.182 -179.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.05 -48.66 16.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.577 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.48 37.65 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 21.7 t80 -74.07 -56.22 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.023 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.11 -14.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.43 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.023 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.2 t70 -58.35 -26.96 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.967 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -35.63 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.531 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.54 -26.06 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.68 -35.09 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -89.32 127.02 35.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 55.8 p30 -70.96 -19.76 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.77 -32.58 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' B' ' 55' ' ' ASP . 17.0 m -52.53 -43.03 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.3 t70 -68.89 -29.46 67.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -49.84 -46.9 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -32.99 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.784 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.5 -27.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -52.77 -31.04 36.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.694 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.02 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -67.27 -35.86 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' N ' HD12 ' B' ' 61' ' ' LEU . 45.9 t0 -57.28 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -58.01 -26.16 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 67' ' ' GLY . 56.6 m-20 -81.27 24.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.27 -48.45 0.1 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.65 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.372 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.38 -175.34 44.8 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.75 -174.85 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 110.241 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.863 HG11 HD12 ' B' ' 33' ' ' LEU . 7.1 p -137.71 141.83 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -42.38 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.704 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -174.07 -58.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.7 mp0 -71.11 -29.27 65.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.66 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -48.26 -22.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.547 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -68.05 -27.05 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' B' ' 76' ' ' VAL . 30.5 m -50.79 -59.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.286 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.2 p -54.42 -38.79 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.726 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.93 -33.21 36.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.25 -36.57 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.99 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.762 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.9 -31.61 18.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 0.0 110.401 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.9 tt -76.83 -45.35 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.26 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -71.98 -47.41 52.3 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.224 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.2 p -51.47 -40.67 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.479 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -69.43 -35.21 75.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.79 -50.61 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.423 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.89 -37.47 68.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 96.1 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 10' ' ' THR . 65.7 mm-40 -72.06 -27.75 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.4 mm? -74.24 -48.27 29.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -31.85 27.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -66.35 -44.16 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.01 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.79 67.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 mtp -51.81 -43.21 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.21 -38.31 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.835 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -53.88 -45.59 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.725 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -71.03 -35.12 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 90.8 mt -73.98 -39.0 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.703 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.97 -35.19 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.6 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.67 -33.86 73.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.18 89.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -75.17 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.1 t -120.24 136.65 54.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.06 -45.08 0.65 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.318 . . . . 0.0 110.634 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.747 0.308 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.48 164.33 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.313 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 22.0 pttt -50.62 -48.09 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.993 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 53.4 mttm -57.91 -50.34 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.09 -45.36 75.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.957 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.5 tt -75.22 -56.36 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.714 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' HE22 ' A' ' 38' ' ' GLN . 76.8 tttt -49.19 -41.37 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 39' ' ' THR . 63.8 mm-40 -72.05 -31.94 66.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.6 tt -48.75 -57.34 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.24 -54.11 10.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.976 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.603 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.6 mt-30 -48.51 -44.61 36.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 35' ' ' GLU . 41.9 p -63.95 -29.34 70.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.06 -50.47 9.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.415 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.8 8.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.017 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -46.47 -50.43 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.714 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.08 -33.33 45.62 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 26.4 t80 -74.19 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.2 -15.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.324 -178.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.3 t0 -55.49 -27.04 46.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.065 0.459 . . . . 0.0 109.856 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.22 -37.76 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ALA . 47.3 mt-30 -69.32 -26.46 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.78 -34.48 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 62.4 t0 -60.49 -33.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -85.99 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 54.0 p30 -70.95 -19.47 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.56 -29.35 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' N ' ' A' ' 55' ' ' ASP . 13.4 m -55.55 -45.63 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 54' ' ' VAL . 22.9 t0 -65.76 -29.38 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.38 50.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.3 -33.03 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.739 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.8 mmt -55.78 -28.22 54.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.444 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.12 -30.8 60.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.352 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.88 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.01 -31.29 70.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.0 t70 -66.02 -53.26 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 84.8 tt0 -39.95 -61.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 67' ' ' GLY . 91.9 m-20 -93.46 24.79 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -37.87 -51.04 2.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.97 -25.82 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.592 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -91.53 -160.26 36.16 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.71 -174.9 4.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.321 -0.439 . . . . 0.0 109.958 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.429 HG23 ' OE1' ' A' ' 73' ' ' GLU . 5.6 p -149.11 150.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.741 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' VAL . 40.9 t0 -42.45 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 t80 -179.44 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -50.67 -38.28 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' HG23 ' A' ' 69' ' ' VAL . 93.5 mt-10 -48.41 -22.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.362 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.8 m -50.77 -59.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.805 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -54.26 -38.91 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.769 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.8 -32.87 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.473 HG21 HD12 ' B' ' 4' ' ' LEU . 39.7 t -70.97 -35.44 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.225 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -50.59 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.944 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.93 -31.2 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.413 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.86 -48.56 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.57 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.0 OUTLIER -69.64 -46.88 65.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.281 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.546 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 6.1 p -52.87 -40.36 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.601 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.82 -34.0 76.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -74.02 -40.87 62.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.565 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -39.38 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 70.8 m-80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 10' ' ' THR . 65.5 mm-40 -72.05 -27.69 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.922 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.794 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.4 mm? -74.27 -48.31 29.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -31.91 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -66.21 -44.21 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.1 -32.67 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.271 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 19.0 mtp -51.9 -43.25 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.22 -38.2 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.0 m -53.9 -45.66 71.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.9 -35.11 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.57 HD11 ' OG1' ' A' ' 82' ' ' THR . 90.6 mt -74.06 -38.89 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.07 -35.14 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.7 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.642 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.57 -33.89 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.692 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.27 89.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -75.1 -100.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.643 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.2 t -120.25 136.69 54.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -45.12 0.65 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.747 0.308 . . . . 0.0 110.68 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.44 164.3 11.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.559 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 22.1 pttt -50.56 -48.14 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.559 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 53.5 mttm -57.84 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.07 -45.31 75.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.6 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.5 tt -75.31 -56.26 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HE2' HE22 ' B' ' 38' ' ' GLN . 77.0 tttt -49.2 -41.32 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.444 . . . . 0.0 110.315 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' B' ' 39' ' ' THR . 63.8 mm-40 -72.15 -31.86 66.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.774 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.5 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.0 -57.22 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.369 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.46 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.21 -54.19 10.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.89 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.6 mt-30 -48.48 -44.63 35.96 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.426 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' B' ' 35' ' ' GLU . 42.0 p -63.93 -29.35 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.0 -50.48 9.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.458 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.77 8.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.932 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.596 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -46.56 -50.39 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.05 -33.32 45.75 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.432 ' C ' ' N ' ' B' ' 46' ' ' ASP . 26.8 t80 -74.22 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.14 -15.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.382 -178.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' B' ' 45' ' ' LEU . 10.4 t0 -55.51 -27.03 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 109.877 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.19 -37.89 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' B' ' 51' ' ' ALA . 47.5 mt-30 -69.18 -26.48 64.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.747 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -43.77 -34.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.4 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 62.3 t0 -60.57 -33.5 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.486 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -85.97 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 54.0 p30 -70.93 -19.44 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.584 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.66 -29.36 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.597 HG23 ' N ' ' B' ' 55' ' ' ASP . 13.3 m -55.59 -45.6 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.419 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.597 ' N ' HG23 ' B' ' 54' ' ' VAL . 22.9 t0 -65.73 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.643 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.31 50.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -33.02 32.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.733 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.7 -28.18 54.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.357 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -55.18 -30.87 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.34 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.94 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.05 -31.33 70.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 24.0 t70 -65.97 -53.28 40.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 84.8 tt0 -39.86 -61.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . 91.9 m-20 -93.51 24.77 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.229 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.93 -51.05 2.07 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.91 -25.85 65.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.614 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.52 -160.15 36.07 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.75 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.403 -0.398 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.431 HG23 ' OE1' ' B' ' 73' ' ' GLU . 5.7 p -149.12 150.98 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 40.8 t0 -42.54 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.368 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 22.1 t80 -179.51 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.634 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -50.73 -38.22 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.637 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' B' ' 69' ' ' VAL . 93.6 mt-10 -48.45 -22.71 0.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -68.36 -26.31 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.761 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.7 m -50.46 -59.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.873 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.761 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -54.34 -38.86 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.675 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -51.87 -32.84 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 4' ' ' LEU . 39.7 t -70.94 -35.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.266 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.53 -50.57 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.2 16.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.396 . . . . 0.0 110.488 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.639 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.91 -48.51 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -69.69 -46.82 65.16 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.291 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.547 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 6.0 p -52.91 -40.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.91 -34.03 77.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.98 -40.83 62.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -39.39 87.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 70.9 m-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.721 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.981 0.42 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.511 ' O ' ' CG2' ' B' ' 10' ' ' THR . 72.5 mm-40 -72.29 -25.12 61.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.791 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.8 mm? -74.52 -42.01 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -36.37 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.287 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 m -60.07 -44.19 94.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.1 -37.93 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 mtt -55.17 -46.0 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -69.7 -36.05 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.642 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -57.1 -46.37 82.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CG1' ' A' ' 75' ' ' VAL . 25.9 mt -72.18 -38.31 69.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.44 -32.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -64.71 -57.22 9.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.7 p -58.81 -39.91 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.789 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.1 t80 -64.23 -47.43 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 5.6 t-80 -63.16 -31.2 72.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.94 73.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -67.31 -97.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -120.02 133.0 55.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.468 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.84 -45.16 3.19 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 tttt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.576 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.331 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.84 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.396 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 16.8 pttp -50.59 -46.11 57.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.505 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.1 mtpt -58.36 -50.24 74.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.635 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -51.3 -37.76 49.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.19 -56.6 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.477 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.76 -37.96 71.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.243 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' OG1' ' A' ' 39' ' ' THR . 71.2 mm-40 -72.0 -33.58 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.1 tt -50.79 -58.46 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.466 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.51 -50.1 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.83 -179.224 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 90.2 mt-30 -48.48 -49.48 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.914 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.0 p -62.48 -29.84 70.82 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.742 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -82.29 -52.23 7.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.93 28.31 7.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.743 0.306 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -48.95 -50.12 37.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.344 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 -38.99 31.12 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.026 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 46' ' ' ASP . 27.3 t80 -67.3 -60.1 2.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.059 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.37 -16.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.325 -179.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.059 ' N ' HD23 ' A' ' 45' ' ' LEU . 9.5 t0 -57.42 -26.74 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.007 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.13 -21.48 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.524 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ALA . 65.5 mt-30 -81.36 -21.77 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.58 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -87.65 128.83 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -70.99 -19.63 62.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.54 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 55' ' ' ASP . 4.9 m -64.37 -42.42 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.47 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.593 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.0 49.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.991 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -72.28 -32.65 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.561 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.46 -27.89 64.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -53.04 -31.56 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.18 -63.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.719 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -66.72 -36.82 83.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' A' ' 61' ' ' LEU . 33.0 t70 -53.29 -51.77 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.646 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -60.88 -25.02 66.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' GLY . 90.4 m-20 -82.52 24.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' ' CE ' ' A' ' 30' ' ' LYS . . . -29.28 -49.94 0.12 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.77 2.63 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.759 0.314 . . . . 0.0 110.477 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.29 -175.6 44.89 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.687 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.56 143.78 20.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG11 HD12 ' A' ' 33' ' ' LEU . 5.2 p -95.37 152.51 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' VAL . 12.7 t70 -59.54 -73.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.5 OUTLIER 172.49 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.14 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -61.87 -28.48 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 78.5 mt-10 -63.18 -23.41 67.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.64 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.12 -27.6 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.766 0.317 . . . . 0.0 111.072 -179.016 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 72' ' ' GLN . 22.6 m -51.49 -59.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.714 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.748 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.2 p -51.97 -36.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.784 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.95 -39.99 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.571 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 96.9 t -63.53 -33.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.881 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -57.71 -47.61 81.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -44.98 57.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.115 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tt -76.18 -31.63 58.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.912 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 15.1 m -56.89 -61.17 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.7 p -56.89 -42.04 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.785 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -55.25 -41.83 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.09 -39.42 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -42.59 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 72.6 mm-40 -72.39 -25.15 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.792 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.8 mm? -74.44 -42.0 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.95 -36.29 78.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.325 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.2 m -60.23 -44.09 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.642 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.12 -37.95 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.13 -46.01 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.68 -36.13 75.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -57.06 -46.3 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.552 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.9 mt -72.23 -38.35 68.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.33 -32.16 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.67 -57.13 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.5 p -58.9 -39.87 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -64.26 -47.42 79.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.569 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 5.7 t-80 -63.17 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.12 -37.03 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -67.27 -98.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -119.98 133.04 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.88 -45.19 3.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 tttt . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.954 0.407 . . . . 0.0 110.624 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.708 0.289 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.92 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.389 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 16.8 pttp -50.56 -46.16 57.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.577 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 50.1 mtpt -58.39 -50.24 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.67 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.25 -37.77 48.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -75.18 -56.76 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.67 -38.01 71.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.201 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' B' ' 39' ' ' THR . 71.3 mm-40 -72.02 -33.57 68.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.412 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -50.79 -58.4 6.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.527 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.571 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.47 -50.16 28.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.864 -179.286 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 90.2 mt-30 -48.36 -49.56 34.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.983 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.2 p -62.31 -29.93 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.852 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.16 -52.27 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 179.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -105.87 28.23 7.76 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -49.1 -50.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.311 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.49 -39.0 31.48 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.053 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.046 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.42 -16.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.272 -179.304 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.046 ' N ' HD23 ' B' ' 45' ' ' LEU . 9.5 t0 -57.5 -26.75 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.43 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' B' ' 51' ' ' ALA . 65.6 mt-30 -81.49 -21.7 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.56 -34.06 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -87.71 128.83 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -71.02 -19.61 62.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -26.58 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 55' ' ' ASP . 4.9 m -64.4 -42.37 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.521 ' N ' HG23 ' B' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.46 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.01 49.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.962 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.7 OUTLIER -72.27 -32.74 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.54 -179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mmt -58.45 -27.91 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -53.13 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.793 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.23 -63.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.713 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -66.71 -36.79 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' B' ' 61' ' ' LEU . 33.0 t70 -53.31 -51.72 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.89 -25.11 66.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . 90.3 m-20 -82.47 24.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.531 ' O ' ' CE ' ' B' ' 30' ' ' LYS . . . -29.4 -49.85 0.12 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.72 2.56 18.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.22 -175.65 44.99 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.55 143.86 20.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.642 HG11 HD12 ' B' ' 33' ' ' LEU . 5.1 p -95.42 152.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.46 -73.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.5 OUTLIER 172.44 -61.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -61.83 -28.57 69.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -63.1 -23.48 67.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.644 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.539 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.11 -27.58 69.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.689 0.28 . . . . 0.0 110.994 -178.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' B' ' 72' ' ' GLN . 22.6 m -51.56 -59.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.689 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.2 p -51.96 -36.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.773 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 tp -51.9 -40.08 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.549 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' B' ' 82' ' ' THR . 97.1 t -63.43 -33.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.912 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -57.66 -47.69 81.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.03 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.196 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.519 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.1 tt -76.21 -31.63 58.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.895 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 15.3 m -56.94 -61.11 2.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.779 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 84' ' ' ALA . 10.7 p -56.88 -42.08 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -55.31 -41.79 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.15 -39.45 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -42.66 83.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.702 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.872 0.368 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.1 -26.57 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.849 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.5 mm? -74.5 -47.99 29.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.261 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -33.46 32.77 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -66.23 -43.77 85.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.826 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.3 -36.52 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.98 -42.35 62.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.425 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.39 -38.23 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.73 HG21 ' HB2' ' B' ' 7' ' ' ALA . 16.4 m -53.91 -44.88 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.0 mt -72.06 -36.76 69.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' B' ' 82' ' ' THR . 81.6 mt -74.38 -33.38 33.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.779 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -71.26 -57.27 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -52.3 -36.68 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.547 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 14' ' ' VAL . 71.2 t80 -72.04 -41.79 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -59.01 -36.6 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.09 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.33 -100.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.2 m -120.14 135.76 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.99 -45.08 0.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.501 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.461 0.114 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t -70.85 167.08 19.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 4.4 pttm -50.38 -47.54 56.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 60.7 mttm -56.05 -50.39 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.179 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 29' ' ' SER . 34.7 mt-10 -48.56 -56.08 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.686 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.871 HD12 HG11 ' A' ' 69' ' ' VAL . 2.2 tt -67.76 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.236 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HZ3' ' CD ' ' A' ' 38' ' ' GLN . 60.9 tttm -50.0 -48.04 52.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 39' ' ' THR . 69.0 mm-40 -67.9 -32.17 72.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.203 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.7 tt -49.24 -57.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.436 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.5 -52.53 15.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.021 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 26.5 mt-30 -48.58 -45.31 37.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.696 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 35' ' ' GLU . 35.6 p -64.57 -29.21 70.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.43 -51.37 8.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.876 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.94 9.07 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.143 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.45 21.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.622 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.21 -36.23 35.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.1 t80 -73.12 -56.99 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.005 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.388 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.005 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.4 t70 -56.69 -29.38 62.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.89 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.24 -34.11 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.3 mt-30 -75.03 -29.32 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.99 -35.41 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.09 -29.63 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.95 131.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.84 -19.84 62.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -31.9 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 55' ' ' ASP . 11.4 m -56.0 -44.07 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 54' ' ' VAL . 25.3 t0 -66.55 -29.35 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.651 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.63 -47.89 49.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.46 -32.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.811 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.32 -27.87 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.14 -30.89 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.52 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -68.67 -38.4 80.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.678 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' ' 61' ' ' LEU . 27.3 t70 -60.11 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -40.0 -61.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.805 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.6 m-20 -87.4 24.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.4 -50.16 5.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.97 62.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.98 -166.46 40.77 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.65 167.13 20.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.051 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.871 HG11 HD12 ' A' ' 33' ' ' LEU . 7.3 p -121.73 143.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 69' ' ' VAL . 32.1 t70 -43.66 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.671 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -167.17 -70.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.376 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.671 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.88 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.784 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -48.73 -23.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.743 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -72.97 -26.15 61.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.1 m -49.69 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.288 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.733 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -57.69 -38.34 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.609 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.21 -33.0 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.19 -35.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -53.14 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.978 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.66 -30.05 12.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.04 -45.88 25.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.31 -47.09 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.308 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.7 p -54.25 -38.9 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.679 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.68 -31.89 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.45 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.48 -48.91 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.88 -44.09 77.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 1.4 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.463 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 70.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.827 0.346 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.09 -26.51 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.865 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.5 mm? -74.54 -47.92 29.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.275 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.463 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.67 -33.44 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -66.29 -43.62 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.874 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.33 -36.54 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.93 -42.52 62.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.25 -38.26 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.734 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.3 m -53.99 -44.79 71.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.649 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.469 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.7 mt -72.07 -36.81 69.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.481 HD11 ' OG1' ' A' ' 82' ' ' THR . 82.0 mt -74.36 -33.4 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -71.2 -57.3 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -52.37 -36.52 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.598 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.418 ' N ' HG13 ' B' ' 14' ' ' VAL . 70.4 t80 -72.18 -41.72 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.497 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -59.06 -36.62 75.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.16 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.29 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -120.11 135.73 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.93 -45.09 0.65 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 tttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.736 0.303 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.456 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 14.1 t -70.93 167.04 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.467 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 4.4 pttm -50.29 -47.53 55.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.981 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 60.6 mttm -56.15 -50.28 71.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.2 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 29' ' ' SER . 34.7 mt-10 -48.59 -56.1 9.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.676 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.901 HD12 HG11 ' B' ' 69' ' ' VAL . 2.2 tt -67.73 -56.45 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.248 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 60.9 tttm -49.93 -48.04 52.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.047 0.451 . . . . 0.0 110.669 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' B' ' 39' ' ' THR . 69.0 mm-40 -67.85 -32.22 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.505 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.7 tt -49.2 -57.68 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.451 -178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.435 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.49 -52.47 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.045 -178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 26.5 mt-30 -48.6 -45.43 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 35' ' ' GLU . 35.6 p -64.55 -29.12 70.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.3 8.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.832 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.88 9.13 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.197 -179.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.5 21.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.533 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.31 -36.09 35.66 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' B' ' 46' ' ' ASP . 20.9 t80 -73.21 -56.89 4.49 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.006 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.304 -178.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.006 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.4 t70 -56.73 -29.32 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.879 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.26 -34.0 43.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' B' ' 51' ' ' ALA . 98.3 mt-30 -75.13 -29.25 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.94 -35.48 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -29.68 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.463 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -89.09 131.07 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.573 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.8 -19.86 62.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.97 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.744 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 55' ' ' ASP . 11.3 m -56.03 -44.04 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.504 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.569 ' N ' HG23 ' B' ' 54' ' ' VAL . 25.0 t0 -66.5 -29.46 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.661 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.65 -47.8 49.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -32.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.795 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.29 -27.86 49.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.17 -30.87 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.49 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -68.73 -38.36 80.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.745 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.531 ' N ' HD12 ' B' ' 61' ' ' LEU . 27.2 t70 -60.08 -63.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -39.96 -61.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.788 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.7 m-20 -87.41 24.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.42 -50.19 5.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.99 62.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.36 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.01 -166.47 40.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.63 167.01 20.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.442 -0.379 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.901 HG11 HD12 ' B' ' 33' ' ' LEU . 7.3 p -121.64 143.63 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 69' ' ' VAL . 32.1 t70 -43.7 -97.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -167.12 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.302 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.93 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -48.63 -23.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -72.98 -25.93 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.738 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.3 m -49.91 -57.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.124 -0.631 . . . . 0.0 111.281 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.738 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -57.72 -38.25 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.619 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.24 -32.97 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.28 -35.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -53.03 32.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.02 12.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.99 0.424 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.637 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.03 -45.93 25.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -69.37 -47.0 65.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.329 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 4.7 p -54.17 -38.98 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -66.72 -31.88 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.421 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.0 t -73.56 -48.89 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.9 -44.02 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.668 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 1.4 m-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.27 -23.63 62.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.763 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -72.94 -51.3 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.131 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -32.02 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -65.19 -46.09 82.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.798 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.13 -33.14 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.07 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.813 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.32 -37.63 68.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.827 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.5 m -54.24 -49.76 68.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.884 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 75' ' ' VAL . 60.2 mt -67.48 -32.0 72.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.92 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.666 HD11 ' OG1' ' B' ' 82' ' ' THR . 78.0 mt -74.39 -49.16 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.5 -57.17 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.6 p -51.85 -37.14 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 64.5 t80 -72.28 -55.39 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -48.82 -28.07 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.626 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.11 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -75.12 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.667 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.44 114.87 22.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.702 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -3.31 21.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.314 . . . . 0.0 110.448 -179.733 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.732 0.301 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 163.77 23.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.328 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 17.1 pttp -50.65 -45.05 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 22.1 mtpp -59.08 -50.09 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.29 -47.72 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.01 -56.05 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HE2' HE22 ' A' ' 38' ' ' GLN . 79.0 tttt -49.98 -41.59 47.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.204 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 39' ' ' THR . 77.0 mm-40 -72.45 -32.79 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.306 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -49.81 -57.33 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.66 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.73 -55.81 10.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.845 -179.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.5 mt-30 -48.24 -48.65 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -60.58 -29.99 69.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.57 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -82.34 -52.46 6.9 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.257 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.33 27.98 8.79 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.958 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -48.07 -47.32 34.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.687 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.25 -35.07 38.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.9 t80 -74.09 -56.78 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.003 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.04 -12.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.311 -178.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.003 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.4 t0 -57.82 -29.26 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.831 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.7 -27.25 34.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.527 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ALA . 28.1 mt-30 -72.18 -22.0 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -43.98 -26.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 67.7 t0 -64.7 -35.43 81.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.642 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -88.11 123.47 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -69.98 -19.75 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.76 -27.66 12.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.1 m -53.26 -43.02 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 54' ' ' VAL . 3.3 t70 -72.24 -29.73 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.26 -47.36 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -72.05 -38.51 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.4 mmt -51.0 -27.96 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.524 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -55.69 -32.03 62.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.46 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.91 -37.39 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' ' 61' ' ' LEU . 42.9 t0 -53.33 -50.56 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.34 -31.09 20.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . 63.2 m-20 -83.0 24.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.0 -46.45 0.07 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -110.73 -8.53 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -175.01 44.82 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.879 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.81 -175.0 3.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.433 -0.383 . . . . 0.0 110.225 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.752 HG11 HD12 ' A' ' 33' ' ' LEU . 9.1 p -138.78 137.82 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.376 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' VAL . 51.3 t0 -35.43 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -176.73 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.134 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.696 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.7 mp0 -50.78 -34.86 29.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.208 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.18 -26.07 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.501 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 29.4 m -57.81 -60.22 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.49 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.4 p -53.46 -38.75 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 110.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.59 -38.27 53.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.27 -32.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.214 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.08 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.095 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.38 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.547 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.0 -42.08 40.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.678 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.2 t -72.08 -47.67 49.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.251 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.564 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.6 p -53.14 -37.54 27.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -68.79 -39.84 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.295 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.5 t -73.64 -41.57 62.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -55.95 -36.68 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 3.2 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.44 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.354 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.42 -23.57 61.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.762 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -72.95 -51.4 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -32.08 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -65.25 -45.93 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -33.13 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.16 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.789 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.21 -37.73 69.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.798 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.5 m -54.09 -49.94 67.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' B' ' 75' ' ' VAL . 60.3 mt -67.4 -31.99 72.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.678 HD11 ' OG1' ' A' ' 82' ' ' THR . 77.5 mt -74.4 -49.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.46 -57.14 12.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.6 p -51.97 -37.13 20.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 64.4 t80 -72.25 -55.38 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -48.84 -28.07 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.16 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -74.98 -100.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.761 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.47 114.95 22.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.28 -3.21 21.24 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 110.402 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.726 0.298 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -69.08 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.32 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 17.1 pttp -50.62 -45.08 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 22.2 mtpp -59.1 -50.05 75.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -48.27 -47.69 36.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.749 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -73.02 -56.1 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HE2' HE22 ' B' ' 38' ' ' GLN . 79.0 tttt -49.93 -41.57 46.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.655 ' O ' HG23 ' B' ' 39' ' ' THR . 77.1 mm-40 -72.47 -32.79 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.337 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.519 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.85 -57.3 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.652 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.444 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.64 -55.83 10.2 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.86 -179.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.5 mt-30 -48.3 -48.64 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.7 p -60.55 -29.99 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.685 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -82.29 -52.41 6.96 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.364 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.4 28.03 8.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.988 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.617 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -48.05 -47.32 33.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.06 38.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.6 t80 -74.07 -56.93 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.992 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -49.9 -12.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.992 ' N ' HD23 ' B' ' 45' ' ' LEU . 13.5 t0 -57.73 -29.3 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.851 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -27.35 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 51' ' ' ALA . 28.1 mt-30 -72.07 -22.08 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -44.07 -26.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 67.8 t0 -64.82 -35.39 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.469 ' O ' HG13 ' B' ' 54' ' ' VAL . . . -88.12 123.39 32.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.83 -19.79 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.62 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.9 m -53.19 -43.11 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.552 ' N ' HG23 ' B' ' 54' ' ' VAL . 3.3 t70 -72.17 -29.68 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.29 -47.35 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -38.41 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.537 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -51.14 -27.86 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -55.75 -31.97 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.45 -63.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.685 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -66.03 -37.33 85.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.525 ' N ' HD12 ' B' ' 61' ' ' LEU . 43.3 t0 -53.27 -50.6 64.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.34 -30.98 20.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.487 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' B' ' 67' ' ' GLY . 63.1 m-20 -83.1 24.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.497 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.01 -46.36 0.07 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -110.83 -8.52 14.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.41 -175.03 44.81 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.228 -0.51 . . . . 0.0 111.909 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.8 -175.04 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.416 -0.392 . . . . 0.0 110.219 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 HD12 ' B' ' 33' ' ' LEU . 9.1 p -138.76 137.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 69' ' ' VAL . 51.4 t0 -35.34 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -176.6 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.132 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.688 ' O ' HG22 ' B' ' 75' ' ' VAL . 2.7 mp0 -50.71 -35.01 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.263 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.15 -22.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.724 0.297 . . . . 0.0 111.274 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -64.05 -26.17 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.548 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.759 HG23 ' N ' ' B' ' 76' ' ' VAL . 29.1 m -57.82 -60.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.374 -0.531 . . . . 0.0 111.518 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.759 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.4 p -53.59 -38.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.574 0.226 . . . . 0.0 110.928 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.54 -38.27 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -32.85 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.155 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.9 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.098 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.44 72.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.653 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.01 -42.02 40.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.666 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.2 t -72.04 -47.8 49.05 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.181 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.56 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 8.5 p -53.08 -37.57 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.419 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -68.94 -39.74 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.253 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.6 t -73.6 -41.49 62.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -56.03 -36.6 68.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 3.2 m120 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.457 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.884 0.374 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' B' ' 10' ' ' THR . 78.5 mm-40 -67.46 -25.65 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -74.36 -50.67 17.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.168 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -37.58 55.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.14 -34.47 68.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.75 -40.76 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -71.78 -40.47 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.676 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -54.38 -53.06 59.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 75' ' ' VAL . 32.7 mt -64.46 -39.13 93.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.55 -37.19 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.657 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.68 -53.77 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.68 -36.69 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.18 -57.14 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.646 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.92 -29.84 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -74.87 -100.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -120.4 115.08 22.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -1.67 22.06 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.274 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.75 159.49 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -50.45 -35.58 29.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.658 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 62.3 mttp -51.7 -40.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.37 -48.64 19.21 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -65.04 -56.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.989 -179.124 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.84 -43.23 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.475 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 31' ' ' LYS . 68.7 mm-40 -72.15 -31.99 66.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.2 tt -48.93 -57.24 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -69.59 -55.35 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.321 -179.624 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.62 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.2 mt-30 -48.43 -48.83 37.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 35' ' ' GLU . 43.1 p -61.47 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.612 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.11 -52.23 7.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.24 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.89 28.36 8.53 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.781 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.62 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.46 -51.36 15.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.47 -32.87 49.84 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.746 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.6 t80 -72.69 -60.59 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.461 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.43 -16.23 0.54 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.123 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.6 t70 -56.53 -30.29 62.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.065 0.459 . . . . 0.0 109.787 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.96 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.295 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 51' ' ' ALA . 89.5 mt-30 -83.96 -23.29 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.0 -29.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.37 -28.47 69.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.413 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.05 131.58 37.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -71.23 -19.57 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.55 -32.24 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.9 m -53.59 -47.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.624 ' N ' HG23 ' A' ' 54' ' ' VAL . 13.8 t0 -66.36 -29.19 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.746 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.44 -45.55 46.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -75.05 -32.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.436 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.68 62.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.397 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -56.4 -30.86 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.264 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.9 -63.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.69 -38.15 88.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.498 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.561 ' N ' HD12 ' A' ' 61' ' ' LEU . 24.2 t70 -58.49 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 81.8 tt0 -39.96 -61.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.509 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 67' ' ' GLY . 84.2 m-20 -101.5 24.61 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.217 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -59.83 -22.34 62.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.788 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -90.65 -170.75 43.48 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.43 134.72 36.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.419 -0.391 . . . . 0.0 110.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 70' ' ' ASP . 13.7 p -105.16 157.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 20.6 t0 -47.83 -103.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.529 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 28.4 t80 -163.59 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.9 mp0 -50.9 -40.96 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -47.98 -22.6 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.161 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.755 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.72 -26.01 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 28.6 m -50.29 -60.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.6 p -55.12 -37.25 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.772 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.76 -37.61 52.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.16 -32.55 54.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -65.06 -41.85 94.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.105 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.73 -44.51 58.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.108 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.2 tt -76.49 -31.71 57.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -55.41 -62.15 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 5.2 p -55.2 -39.51 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.57 -36.91 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -72.41 -41.03 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.71 -45.28 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.867 0.365 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 78.5 mm-40 -67.5 -25.66 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.839 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.6 mm? -74.34 -50.53 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.269 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -37.55 56.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.1 -42.46 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.14 -34.32 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.682 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.89 -40.68 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.81 -40.52 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.1 m -54.31 -53.08 58.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' B' ' 75' ' ' VAL . 32.6 mt -64.51 -39.04 93.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.59 -37.22 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.685 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -58.59 -53.86 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.68 -36.56 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.718 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.34 -57.07 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.07 91.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -75.06 -100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -120.47 115.14 22.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.15 -1.72 22.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.31 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.68 159.47 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -50.4 -35.65 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' B' ' 35' ' ' GLU . 62.3 mttp -51.65 -40.31 59.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.277 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.32 -48.74 19.0 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.436 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' B' ' 74' ' ' TYR . 0.5 OUTLIER -64.87 -56.59 12.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.993 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.83 -43.26 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.431 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 31' ' ' LYS . 68.6 mm-40 -72.14 -31.98 66.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.513 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -48.97 -57.15 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.108 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.541 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -69.55 -55.37 10.34 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.323 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.3 mt-30 -48.47 -48.81 37.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 35' ' ' GLU . 43.4 p -61.48 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.647 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.08 -52.27 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.234 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.8 28.3 8.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.779 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.627 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.52 -51.22 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -32.91 49.69 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.792 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.1 t80 -72.84 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.442 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 1.043 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -51.27 -16.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.24 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 1.043 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.6 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 109.799 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.47 -21.81 38.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.311 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' B' ' 51' ' ' ALA . 89.3 mt-30 -84.08 -23.28 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.662 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -43.95 -29.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.36 -28.45 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.426 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -93.09 131.66 37.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.624 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.3 -19.48 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.67 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.22 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.629 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.1 m -53.6 -47.37 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.629 ' N ' HG23 ' B' ' 54' ' ' VAL . 13.7 t0 -66.3 -29.18 69.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.51 -45.39 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.457 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.6 OUTLIER -75.11 -32.9 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.38 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.78 62.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.31 -30.93 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.91 -63.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.563 ' N ' HD12 ' B' ' 61' ' ' LEU . 24.3 t70 -58.49 -50.11 74.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -39.91 -61.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' B' ' 67' ' ' GLY . 84.1 m-20 -101.33 24.59 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.591 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.0 p30 -59.92 -22.36 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.329 . . . . 0.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.591 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -90.59 -170.72 43.54 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.706 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.4 134.8 36.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.438 -0.381 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' B' ' 70' ' ' ASP . 13.6 p -105.28 157.56 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.608 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 20.5 t0 -47.75 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.498 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 28.2 t80 -163.52 -58.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.689 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.8 mp0 -50.87 -40.95 57.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.01 -22.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.696 0.284 . . . . 0.0 111.228 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.734 ' HB2' HD21 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -67.83 -25.98 65.83 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.758 HG23 ' H ' ' B' ' 76' ' ' VAL . 28.9 m -50.3 -60.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.897 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.758 ' H ' HG23 ' B' ' 75' ' ' VAL . 1.6 p -55.23 -37.17 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.738 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.68 -37.69 51.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.07 -32.62 54.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.588 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -65.08 -41.92 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.106 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -44.56 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.117 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.747 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.2 tt -76.44 -31.77 58.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -55.48 -62.02 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 5.2 p -55.26 -39.49 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.61 -36.94 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.4 -40.98 66.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -60.72 -45.26 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.455 ' H ' ' HB3' ' B' ' 40' ' ' GLU . 80.8 p 55.67 28.01 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.462 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -72.45 -26.06 61.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.3 mm? -74.27 -48.34 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.487 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -31.9 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.49 -44.81 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.145 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.88 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.42 -37.15 68.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.1 m -54.06 -47.83 71.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD13 ' CG1' ' A' ' 75' ' ' VAL . 31.1 mt -69.45 -36.69 76.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.1 -40.97 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.83 -56.82 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.7 p -51.85 -43.07 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.74 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.533 ' N ' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -71.84 -41.77 67.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.54 70.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -67.76 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.4 p -120.13 147.52 44.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.19 -45.09 0.82 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' GLU . 43.4 tttm -102.69 31.92 3.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.388 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.1 pt-20 -33.98 106.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.737 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.67 -26.56 7.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' LYS . 28.7 t70 -110.24 135.72 50.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 110.186 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' ASP . 95.8 mttt -36.64 148.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.6 p90 -48.19 111.29 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -144.82 129.7 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.282 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 120.77 22.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -72.09 167.95 19.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 43.2 pttt -50.41 -45.77 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 96.6 mttt -56.98 -49.91 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.54 -56.87 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.701 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 HG11 ' A' ' 69' ' ' VAL . 1.8 tt -59.77 -50.97 71.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.669 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE2' HE22 ' A' ' 38' ' ' GLN . 82.3 tttt -56.82 -49.39 75.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.643 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 39' ' ' THR . 79.9 mm-40 -67.51 -32.4 73.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.66 -57.56 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.485 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.32 -50.97 22.95 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.845 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 99.3 mt-30 -48.3 -43.92 33.41 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.305 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.507 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 29.2 p -65.2 -29.36 70.17 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -81.69 -50.52 9.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.16 28.11 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.249 -179.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -52.17 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 -31.66 52.58 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.162 -0.542 . . . . 0.0 111.816 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.1 t80 -74.04 -59.68 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.625 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.32 -15.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.482 -179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.8 t0 -57.53 -29.28 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.839 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.4 40.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -78.24 -22.61 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.92 -29.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.81 -31.38 72.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -90.52 129.26 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.626 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.95 -19.53 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.18 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.736 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.5 m -53.85 -46.26 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' N ' HG23 ' A' ' 54' ' ' VAL . 12.2 t0 -68.6 -29.34 67.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.73 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.76 -46.74 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -32.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.64 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.92 -27.74 53.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -52.9 -31.09 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.75 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -67.17 -39.15 86.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' ' 61' ' ' LEU . 26.1 t70 -51.97 -41.15 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.09 -26.89 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 65' ' ' GLY . 92.5 m-20 -85.43 24.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -28.22 -50.34 0.09 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.65 -11.74 14.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.54 -175.16 44.61 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.83 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -135.62 -174.99 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.208 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.726 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -137.76 139.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' VAL . 12.8 t70 -35.13 -88.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.696 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -177.62 -74.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 12.9 mp0 -51.25 -32.56 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.776 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.42 -22.76 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.606 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -68.25 -27.01 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.0 m -50.59 -59.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.145 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.8 p -52.64 -38.79 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.818 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.6 -33.41 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 82' ' ' THR . 58.3 t -70.19 -38.19 73.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.32 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.69 92.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.78 -34.8 28.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.916 0.388 . . . . 0.0 110.183 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.44 -33.52 58.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 78' ' ' VAL . 69.2 p -67.14 -56.58 9.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 6.1 p -49.01 -38.92 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.456 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -64.61 -46.18 83.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.29 -44.39 62.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.576 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 57.3 t30 -57.32 -36.9 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 97.4 m-20 -59.32 -34.91 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.91 -48.25 80.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -67.79 -50.08 58.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.576 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 9.8 m95 -95.55 117.47 30.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -171.96 102.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -93.32 94.39 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.546 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.45 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 81.1 p 55.55 27.98 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.531 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -72.44 -25.99 61.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.787 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.3 mm? -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.416 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.92 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.17 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.2 m -67.59 -44.69 77.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.131 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.15 -32.82 67.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.38 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtp -51.94 -43.21 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -72.36 -37.2 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.9 m -53.99 -47.89 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.819 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' CG1' ' B' ' 75' ' ' VAL . 30.6 mt -69.44 -36.56 76.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.18 -40.95 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.87 -56.88 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.7 p -51.87 -42.98 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 31.2 t80 -71.9 -41.74 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -58.05 -30.42 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.58 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -67.8 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.6 p -120.19 147.45 44.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.12 -45.15 0.82 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 22' ' ' GLU . 43.3 tttm -102.66 31.83 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.466 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.1 pt-20 -33.89 105.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.817 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.4 -26.66 7.23 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' B' ' 25' ' ' LYS . 28.9 t70 -110.17 135.77 50.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 110.262 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' B' ' 24' ' ' ASP . 95.8 mttt -36.62 148.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -48.15 111.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -144.87 129.71 18.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.204 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.71 120.77 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.714 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.5 p -71.95 167.93 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.237 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 43.3 pttt -50.47 -45.79 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 96.7 mttt -56.93 -49.89 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.02 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -49.6 -56.87 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.727 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 HG11 ' B' ' 69' ' ' VAL . 1.8 tt -59.79 -50.9 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.736 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.46 ' HE2' HE22 ' B' ' 38' ' ' GLN . 82.3 tttt -56.84 -49.36 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 0.0 110.602 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.507 ' O ' HG23 ' B' ' 39' ' ' THR . 79.9 mm-40 -67.56 -32.43 73.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.12 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.523 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.69 -57.56 7.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.467 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.441 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.2 -51.06 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.869 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' B' ' 42' ' ' SER . 99.4 mt-30 -48.27 -43.86 33.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.408 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.507 HG23 ' O ' ' B' ' 35' ' ' GLU . 28.6 p -65.27 -29.4 70.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -50.63 9.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.908 179.414 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.19 28.16 8.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.234 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.85 -52.14 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.8 -31.76 52.45 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.221 -0.514 . . . . 0.0 111.819 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.8 t80 -73.97 -59.72 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.659 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.055 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.27 -15.01 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.526 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.055 ' N ' HD23 ' B' ' 45' ' ' LEU . 11.8 t0 -57.62 -29.25 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.113 0.482 . . . . 0.0 109.852 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.92 -25.47 40.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' ALA . 95.8 mt-30 -78.17 -22.68 48.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -43.99 -29.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.72 -31.54 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -90.41 129.27 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.1 -19.5 62.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.73 -27.27 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.606 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.6 m -53.91 -46.22 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.606 ' N ' HG23 ' B' ' 54' ' ' VAL . 12.2 t0 -68.5 -29.44 68.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -49.74 -46.7 50.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.81 -32.91 29.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.653 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.6 mmt -55.94 -27.67 53.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -52.95 -31.03 38.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.66 -63.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.727 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.583 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -67.13 -39.26 86.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.583 ' N ' HD12 ' B' ' 61' ' ' LEU . 26.0 t70 -51.92 -41.18 61.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.669 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.05 -26.91 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' B' ' 65' ' ' GLY . 92.4 m-20 -85.47 24.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -28.32 -50.24 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -110.71 -11.62 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.53 -175.06 44.63 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -135.73 -174.96 3.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.124 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.723 HG11 HD12 ' B' ' 33' ' ' LEU . 5.9 p -137.78 139.1 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 69' ' ' VAL . 12.9 t70 -35.21 -88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.815 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -177.8 -74.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 12.9 mp0 -51.3 -32.51 25.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -48.36 -22.78 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -68.27 -26.95 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.764 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.0 m -50.47 -60.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.364 -0.535 . . . . 0.0 111.187 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -52.67 -38.78 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.72 -33.31 33.96 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.772 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.498 ' O ' HG23 ' B' ' 82' ' ' THR . 59.3 t -70.29 -38.15 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.184 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.61 91.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -34.93 28.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.956 0.407 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.677 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.27 -33.58 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 78' ' ' VAL . 69.8 p -67.14 -56.53 9.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 87' ' ' ASN . 6.1 p -49.09 -38.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.411 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.51 -46.22 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.597 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 13.5 t -72.29 -44.41 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.576 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 57.3 t30 -57.26 -36.96 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.474 ' O ' ' O ' ' B' ' 90' ' ' TRP . 97.4 m-20 -59.28 -34.92 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.516 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -57.92 -48.35 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -67.7 -50.05 59.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.576 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 9.7 m95 -95.59 117.46 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -171.91 102.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -93.26 94.41 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.48 ' H ' ' CB ' ' B' ' 40' ' ' GLU . 0.8 OUTLIER 79.43 20.61 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.346 . . . . 0.0 110.441 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -22.96 61.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -74.36 -49.62 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -32.53 40.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.338 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 m -66.8 -41.8 86.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.01 -33.73 70.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.2 -41.14 68.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.11 -40.7 67.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.771 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -53.96 -45.94 71.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.695 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 75' ' ' VAL . 34.9 mt -71.91 -34.59 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.55 -43.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -63.35 -56.21 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -51.87 -38.89 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.557 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 64.1 t80 -72.2 -50.64 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.6 -27.26 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.2 75.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.7 -99.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -113.54 143.69 44.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.0 -45.22 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 70.1 tttt -99.51 32.84 2.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.329 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.02 106.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.702 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.79 -29.08 12.58 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' LYS . 28.3 t0 -109.78 138.49 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' ASP . 38.2 mttm -37.46 146.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.5 p90 -40.52 105.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -140.61 126.06 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.16 125.26 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.475 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.37 166.29 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.21 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 42.5 pttt -50.64 -45.77 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.318 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 81.4 mttt -58.47 -50.13 74.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.617 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.4 37.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -75.14 -55.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.45 -42.29 66.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.491 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 39' ' ' THR . 80.3 mm-40 -71.63 -33.16 68.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.278 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.3 tt -50.01 -57.55 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.312 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -67.94 -54.93 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.631 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.7 mt-30 -48.33 -49.46 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.1 p -59.82 -29.85 68.53 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.68 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.25 -52.32 7.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.281 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.13 28.44 8.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.932 -179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -50.62 13.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.996 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.23 34.93 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.3 t80 -68.83 -60.16 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.621 0.248 . . . . 0.0 111.592 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.045 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.351 -179.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.045 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 t0 -55.2 -27.02 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 109.792 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 -25.12 30.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.443 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.44 -27.21 38.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -43.93 -31.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.408 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.75 -28.38 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.81 134.03 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 45.4 p-10 -71.18 -19.45 62.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.42 -28.41 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 55' ' ' ASP . 21.4 m -55.38 -47.47 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.613 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.0 t70 -64.54 -29.17 70.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.775 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -49.42 -45.59 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -74.28 -32.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.464 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.8 -30.4 67.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.544 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.78 -30.73 34.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.53 -56.99 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 3.2 pp -76.0 -25.15 55.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.862 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -46.48 89.33 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.4 -28.15 18.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' GLY . 90.5 m-20 -88.81 24.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.494 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -29.12 -46.54 0.07 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.64 -13.69 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.457 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.39 -173.95 44.72 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.63 -174.9 3.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.228 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.784 HG11 HD12 ' A' ' 33' ' ' LEU . 6.0 p -136.85 138.23 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.429 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 69' ' ' VAL . 13.6 t70 -34.23 -95.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -169.75 -75.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.245 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 75' ' ' VAL . 10.6 mp0 -51.63 -31.55 25.73 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.69 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -48.09 -22.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.676 0.274 . . . . 0.0 111.452 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -66.29 -27.33 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.742 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.0 m -51.0 -60.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.359 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -53.93 -37.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.811 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.55 -38.49 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 HD12 ' B' ' 4' ' ' LEU . 39.9 t -67.29 -32.68 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.627 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -66.69 -41.81 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -43.8 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.7 tt -76.45 -32.47 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.084 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -54.64 -58.9 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.0 p -58.44 -37.21 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.37 -51.74 64.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.568 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.85 -40.16 95.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -55.9 -44.0 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' TRP . 85.3 m-20 -63.69 -32.77 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.79 -52.57 59.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.727 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -72.11 -50.09 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.458 ' O ' ' O ' ' A' ' 87' ' ' ASN . 7.2 m95 -109.21 150.89 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -148.65 174.66 11.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.599 ' H ' HD22 ' A' ' 92' ' ' ASN . 0.0 OUTLIER -142.46 162.07 36.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.516 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.476 ' H ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 79.38 20.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.12 -23.05 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.783 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -74.22 -49.74 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.29 -32.61 38.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.386 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.4 m -66.83 -41.67 87.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.05 -33.81 70.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mtp -54.17 -41.12 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -72.07 -40.69 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.744 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.95 -45.82 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' B' ' 75' ' ' VAL . 34.6 mt -72.06 -34.61 68.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.43 -43.72 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.42 -56.22 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.017 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.5 p -51.8 -38.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.66 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 64.1 t80 -72.32 -50.6 25.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -54.58 -27.34 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.3 75.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -74.69 -99.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -113.56 143.79 43.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.09 -45.23 0.64 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' B' ' 22' ' ' GLU . 70.0 tttt -99.44 32.61 2.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.4 pt-20 -33.76 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.808 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.54 -28.91 10.91 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' B' ' 25' ' ' LYS . 28.5 t0 -109.92 138.49 46.22 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 24' ' ' ASP . 38.2 mttm -37.47 146.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.503 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.5 p90 -40.46 105.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -140.64 126.03 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.218 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -134.08 125.27 27.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.39 166.21 22.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.153 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 42.4 pttt -50.43 -45.89 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 81.3 mttt -58.47 -50.07 75.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.679 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -43.23 38.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.774 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -75.06 -55.32 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -53.46 -42.21 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.993 0.425 . . . . 0.0 110.529 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -71.71 -33.0 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.346 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.525 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.2 tt -50.17 -57.51 7.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.242 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.555 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -67.95 -54.91 15.02 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.639 -179.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.6 mt-30 -48.33 -49.49 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.1 p -59.76 -29.92 68.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.703 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.22 -52.27 7.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.294 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.504 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.06 28.35 8.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.993 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.619 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.66 -50.56 13.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.77 -37.3 34.52 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.421 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.4 t80 -68.72 -60.27 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.61 0.243 . . . . 0.0 111.557 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.048 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.49 -15.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.426 -179.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.048 ' N ' HD23 ' B' ' 45' ' ' LEU . 7.4 t0 -55.24 -27.06 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.04 -25.11 30.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.5 -27.12 37.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.71 -28.49 67.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.75 134.03 39.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.683 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 45.2 p-10 -71.17 -19.46 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.52 -28.34 13.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.617 HG23 ' N ' ' B' ' 55' ' ' ASP . 21.5 m -55.39 -47.5 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 110.354 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.617 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.0 t70 -64.52 -29.31 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -49.37 -45.6 46.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.434 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.8 OUTLIER -74.29 -32.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.3 mmt -58.77 -30.47 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.559 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -52.76 -30.75 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.747 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -68.48 -57.06 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 pp -75.83 -25.23 56.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.932 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -46.53 89.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.36 -28.22 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 90.6 m-20 -88.71 24.48 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -29.08 -46.51 0.07 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -110.65 -13.78 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.466 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.31 -173.86 44.82 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.877 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.67 -174.97 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.243 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.774 HG11 HD12 ' B' ' 33' ' ' LEU . 6.0 p -136.83 138.21 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.416 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' B' ' 69' ' ' VAL . 13.8 t70 -34.22 -95.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -169.73 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.263 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.727 ' O ' HG22 ' B' ' 75' ' ' VAL . 10.6 mp0 -51.67 -31.51 26.04 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.707 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -48.13 -22.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.497 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -66.22 -27.41 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.755 HG23 ' N ' ' B' ' 76' ' ' VAL . 35.2 m -51.0 -60.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.348 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.755 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -53.98 -37.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.846 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.5 -38.48 54.25 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.426 HG21 HD12 ' A' ' 4' ' ' LEU . 40.0 t -67.37 -32.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.515 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -66.66 -41.9 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.69 -43.83 57.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.716 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.7 tt -76.48 -32.38 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.038 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -54.73 -58.88 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.811 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.412 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.1 p -58.44 -37.17 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.412 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.43 -51.66 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.592 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.89 -40.11 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.702 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' B' ' 90' ' ' TRP . 85.3 m-20 -63.75 -32.72 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.74 -52.63 59.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.02 -50.18 30.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.703 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.458 ' O ' ' O ' ' B' ' 87' ' ' ASN . 7.1 m95 -109.13 150.88 27.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -148.68 174.7 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.597 HD22 ' H ' ' B' ' 92' ' ' ASN . 0.0 OUTLIER -142.45 162.09 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.561 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.5 p 83.99 21.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.379 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.98 -22.78 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.5 mm? -74.33 -48.91 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -33.2 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.204 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -63.52 -43.44 97.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.752 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -71.78 -34.46 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -53.96 -41.57 67.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -71.95 -39.94 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.757 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -54.05 -46.38 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.1 mt -71.55 -35.55 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -34.83 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.41 -56.4 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.006 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.0 p -51.79 -39.15 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.793 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 67.7 t80 -71.24 -43.55 67.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.648 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -57.91 -33.05 68.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -72.1 -100.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.2 132.45 55.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -41.4 0.82 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' GLU . 28.2 tttp -87.89 9.81 20.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.62 106.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.75 -27.24 9.02 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' LYS . 87.1 m-20 -105.29 134.37 48.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.688 0.28 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' ASP . 63.6 mttm -35.63 152.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.669 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -47.0 126.66 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 42.3 tttt -159.12 140.32 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 82.1 mt -130.4 149.21 52.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -97.95 169.71 9.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.63 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 15.9 pttp -50.44 -45.13 55.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 23.6 mtpp -67.63 -49.32 63.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -47.67 -56.52 7.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.959 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 HG11 ' A' ' 69' ' ' VAL . 1.1 tt -60.69 -56.06 25.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.95 -45.09 74.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.411 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' THR . 79.6 mm-40 -71.29 -32.66 68.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -50.0 -57.27 7.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.314 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.84 -55.7 10.3 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.702 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.0 mt-30 -48.28 -46.76 36.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' GLU . 53.2 p -62.27 -30.13 70.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.55 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.31 -52.38 6.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.352 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.52 28.12 8.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -45.74 -49.51 14.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.796 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.0 -38.58 30.0 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' N ' ' A' ' 46' ' ' ASP . 28.8 t80 -67.46 -60.36 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.452 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.61 -15.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.241 -179.187 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.3 t70 -55.96 -30.01 61.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.982 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.79 -18.87 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.2 mt-30 -89.0 -24.19 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.77 -31.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -61.31 -27.74 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.78 130.06 39.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -68.95 -19.45 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.85 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.582 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.1 m -51.48 -44.71 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.179 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.582 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.2 t70 -65.91 -29.5 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.64 -45.16 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -74.56 -32.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 mmt -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.82 -30.79 35.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.3 -25.16 65.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' GLY . 26.3 t70 -58.93 -45.47 90.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.495 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -49.7 -27.47 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.252 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLY . 76.9 m-20 -88.54 24.45 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.452 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 30' ' ' LYS . . . -30.59 -46.45 0.12 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -111.54 -10.3 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -173.03 44.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 121.617 0.565 . . . . 0.0 112.377 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 pt-20 -131.65 -174.83 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.186 -0.507 . . . . 0.0 110.1 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.733 HG11 HD12 ' A' ' 33' ' ' LEU . 14.2 p -141.15 140.46 32.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.76 0.314 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' VAL . 27.8 t70 -46.19 -103.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.68 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -158.42 -72.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.402 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.703 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.1 mp0 -50.86 -34.61 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -48.51 -22.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.669 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.45 63.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.488 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.782 HG23 ' H ' ' A' ' 76' ' ' VAL . 34.5 m -50.21 -60.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.614 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.782 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.7 p -53.83 -37.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.831 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.63 -39.42 58.04 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.16 -32.55 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -64.98 -43.01 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.033 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.41 56.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.36 -31.95 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.7 m -56.44 -61.79 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.719 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 84' ' ' ALA . 7.6 p -55.52 -39.02 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.702 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -56.99 -52.18 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.71 -39.33 76.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.582 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 47.7 t30 -58.9 -40.01 83.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 90' ' ' TRP . 78.9 m-20 -62.13 -30.89 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -67.26 -44.46 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -64.88 -49.99 68.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.755 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.582 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 12.8 m95 -96.9 -179.74 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.668 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -156.06 -105.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.478 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.7 t30 59.75 50.61 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.517 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.5 p 83.98 21.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.382 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.93 -22.85 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.785 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.5 mm? -74.28 -48.91 25.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -33.23 56.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -63.46 -43.48 97.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -71.79 -34.5 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.03 -41.47 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.97 -39.99 68.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.734 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.752 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -53.99 -46.37 71.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 HG12 ' B' ' 75' ' ' VAL . 26.3 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.825 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.21 -35.01 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -68.33 -56.28 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -51.84 -39.28 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.452 ' N ' HG13 ' B' ' 14' ' ' VAL . 67.5 t80 -71.11 -43.52 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -57.93 -33.09 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.43 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -72.17 -100.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.615 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -120.23 132.53 55.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.11 -41.42 0.83 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 22' ' ' GLU . 28.2 tttp -87.88 9.76 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.4 pt-20 -34.49 106.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.817 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.48 -27.12 7.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 87.0 m-20 -105.25 134.43 48.37 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 63.7 mttm -35.76 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.688 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -46.95 126.69 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.539 ' NZ ' ' OE2' ' B' ' 68' ' ' GLU . 42.2 tttt -159.14 140.29 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 69' ' ' VAL . 81.7 mt -130.34 149.18 52.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -98.06 169.7 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' B' ' 65' ' ' GLY . 16.0 pttp -50.43 -45.19 55.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 23.7 mtpp -67.48 -49.33 64.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.303 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' B' ' 36' ' ' LEU . 37.5 mm-40 -47.69 -56.49 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.976 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.719 HD12 HG11 ' B' ' 69' ' ' VAL . 1.1 tt -60.6 -56.2 24.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.784 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.82 -45.17 74.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 110.46 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.66 ' O ' HG23 ' B' ' 39' ' ' THR . 79.6 mm-40 -71.24 -32.73 69.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.05 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.97 -57.24 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.397 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.514 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.76 -55.73 10.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.73 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.9 mt-30 -48.21 -46.92 35.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 35' ' ' GLU . 54.7 p -62.15 -30.17 70.86 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.577 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.37 -52.27 7.06 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.342 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.63 28.19 8.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.9 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -45.75 -49.5 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 -38.54 30.05 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.426 ' C ' ' N ' ' B' ' 46' ' ' ASP . 28.8 t80 -67.44 -60.36 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.507 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.042 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.62 -15.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.288 -179.239 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.042 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.3 t70 -56.1 -29.96 61.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.899 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.7 -18.94 46.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -88.93 -24.3 22.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -43.8 -31.72 0.89 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.424 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -61.28 -27.77 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.72 130.07 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.657 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -68.99 -19.45 64.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.83 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.58 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.2 m -51.52 -44.62 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.965 0.412 . . . . 0.0 110.196 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.58 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.2 t70 -66.01 -29.46 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -49.69 -45.16 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER -74.41 -32.97 32.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.0 mmt -59.19 -35.09 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -52.86 -30.85 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -68.2 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.755 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.42 -25.11 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 65' ' ' GLY . 26.4 t70 -58.89 -45.49 90.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.593 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -49.69 -27.43 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.244 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' B' ' 65' ' ' GLY . 77.1 m-20 -88.62 24.45 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.412 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.551 ' O ' ' CD ' ' B' ' 30' ' ' LYS . . . -30.61 -46.46 0.13 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -111.48 -10.31 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.44 -173.0 44.55 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 121.532 0.518 . . . . 0.0 112.355 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.539 ' OE2' ' NZ ' ' B' ' 27' ' ' LYS . 8.4 pt-20 -131.71 -174.74 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.057 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.719 HG11 HD12 ' B' ' 33' ' ' LEU . 14.2 p -141.22 140.41 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.756 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 69' ' ' VAL . 27.8 t70 -46.16 -103.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.7 OUTLIER -158.31 -72.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.464 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.709 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.0 mp0 -50.91 -34.57 29.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -48.53 -22.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.556 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -70.55 -26.52 63.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.776 HG23 ' N ' ' B' ' 76' ' ' VAL . 34.6 m -50.25 -60.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.536 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.776 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.7 p -53.86 -37.34 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.796 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.62 -39.45 58.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 52.0 t -65.1 -32.59 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.63 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -64.97 -43.05 93.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.007 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.43 -43.48 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.37 -31.97 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.004 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -56.42 -61.74 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.6 p -55.48 -39.14 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -56.92 -52.29 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.68 -39.26 77.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.578 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 47.7 t30 -58.96 -40.02 83.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.658 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' B' ' 90' ' ' TRP . 79.3 m-20 -62.23 -30.79 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.599 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -67.31 -44.45 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.7 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -64.87 -50.05 68.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.578 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 12.6 m95 -96.86 -179.77 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.735 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -156.03 -105.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 t30 59.72 50.63 6.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.526 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.5 t 155.17 23.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.155 0.502 . . . . 0.0 110.053 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -69.35 -25.97 64.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -74.32 -47.58 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.401 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.96 -38.09 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -61.0 -41.37 96.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.324 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.16 -36.57 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.628 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.12 -43.14 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.613 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.27 -38.9 68.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.746 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.9 m -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 75' ' ' VAL . 27.5 mt -72.34 -34.21 67.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -74.35 -35.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -67.74 -57.3 6.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.2 p -52.57 -40.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.703 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 71' ' ' PHE . 62.0 t80 -69.22 -41.2 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.69 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -61.46 -27.07 68.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.76 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -70.92 -98.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.8 p -120.0 145.42 46.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.18 -45.0 1.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' GLU . 50.5 tttm -102.43 40.18 1.39 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.795 0.331 . . . . 0.0 110.517 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.0 pt-20 -33.51 106.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -31.19 14.43 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 53.9 p30 -110.19 142.59 41.52 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 24' ' ' ASP . 68.7 mttm -36.71 157.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.553 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -53.96 102.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -140.56 134.3 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.232 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -135.41 127.32 29.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -69.32 162.83 26.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.169 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 21.9 pttm -50.73 -44.2 58.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 67.6 mttm -58.66 -50.05 75.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.15 -55.95 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.707 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.886 HD12 HG11 ' A' ' 69' ' ' VAL . 1.5 tt -61.04 -52.6 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.765 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.39 -48.74 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 39' ' ' THR . 80.5 mm-40 -66.51 -32.57 74.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.037 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.5 tt -49.66 -57.42 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.248 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.16 -56.09 8.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.7 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.7 mt-30 -48.33 -48.58 36.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 35' ' ' GLU . 48.6 p -61.52 -29.83 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.722 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.14 -51.43 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.345 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -111.44 28.08 9.07 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.191 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -45.86 -47.55 16.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.91 0.386 . . . . 0.0 110.56 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.23 -36.66 34.22 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 46' ' ' ASP . 18.5 t80 -74.0 -55.55 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.002 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.26 -12.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.413 -178.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.002 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.1 t70 -56.26 -27.95 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 109.755 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.45 -32.26 26.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.448 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.55 -25.17 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -43.89 -32.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.441 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.05 -34.36 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -86.85 126.84 34.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.73 -20.01 62.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.09 -31.28 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 55' ' ' ASP . 23.2 m -49.4 -44.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.547 ' N ' HG23 ' A' ' 54' ' ' VAL . 4.9 t70 -72.05 -29.84 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.05 -45.84 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.765 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -32.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.502 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.32 -27.89 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.731 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -55.28 -35.08 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.46 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.781 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -64.52 -40.7 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' LEU . 22.7 t70 -52.46 -42.04 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.7 -31.69 68.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.3 m-20 -81.83 24.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.583 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -25.99 -50.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.54 -7.78 14.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.54 -175.42 44.57 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.851 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.05 144.65 36.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.485 -0.357 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 33' ' ' LEU . 8.3 p -93.96 138.92 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.4 t70 -36.07 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.691 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -170.64 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.255 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.716 ' O ' HG22 ' A' ' 75' ' ' VAL . 8.3 mp0 -55.83 -32.9 63.98 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.27 -22.82 0.73 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.411 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.45 -27.33 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 76' ' ' VAL . 35.5 m -50.79 -60.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.198 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.757 ' H ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -55.04 -37.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.66 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.67 -38.19 53.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.52 -32.56 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.507 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 -43.57 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.104 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.52 55.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 tt -76.5 -31.86 57.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -54.99 -59.14 5.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.74 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 84' ' ' ALA . 6.8 p -57.11 -39.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -57.07 -54.06 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.0 t -63.42 -39.09 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.23 -42.88 87.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.713 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' A' ' 90' ' ' TRP . 4.7 m120 -56.85 -33.05 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.5 -47.25 66.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -66.67 -50.11 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' A' ' 87' ' ' ASN . 11.3 m95 -102.22 116.72 33.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.639 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.16 -38.07 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' ND2' ' N ' ' A' ' 93' ' ' SER . 1.0 OUTLIER -52.57 -34.77 51.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.648 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.429 ' N ' ' ND2' ' A' ' 92' ' ' ASN . 26.8 p . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.5 t 155.09 23.75 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.128 0.489 . . . . 0.0 110.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.37 -25.94 64.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.782 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.0 mm? -74.26 -47.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.418 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -37.96 64.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -61.08 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -36.65 69.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mtt -53.06 -43.22 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.16 -39.02 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.709 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.7 m -53.8 -45.07 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.698 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' B' ' 75' ' ' VAL . 27.2 mt -72.25 -34.18 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.8 mt -74.28 -35.61 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.006 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.74 -57.18 6.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.261 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.496 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -52.58 -40.92 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.791 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 62.1 t80 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -61.52 -27.0 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.66 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -70.85 -98.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -119.97 145.52 46.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.09 -45.11 1.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' B' ' 22' ' ' GLU . 50.4 tttm -102.36 40.15 1.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.819 0.342 . . . . 0.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' B' ' 21' ' ' LYS . 5.0 pt-20 -33.25 106.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.927 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.12 -31.22 11.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' B' ' 24' ' ' ASP . 54.0 p30 -110.12 142.62 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 68.7 mttm -36.68 157.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -54.11 102.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -140.53 134.28 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -135.41 127.27 29.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -69.29 162.79 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.106 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 21.9 pttm -50.59 -44.31 56.88 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.489 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 67.7 mttm -58.62 -50.15 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -48.07 -55.94 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.916 HD12 HG11 ' B' ' 69' ' ' VAL . 1.5 tt -61.08 -52.55 64.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -56.46 -48.73 76.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 39' ' ' THR . 80.5 mm-40 -66.49 -32.54 73.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.515 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.5 tt -49.74 -57.34 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.319 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.511 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -69.11 -56.06 8.84 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.741 -179.347 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' B' ' 42' ' ' SER . 23.7 mt-30 -48.49 -48.45 37.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 35' ' ' GLU . 48.1 p -61.64 -29.72 70.25 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.685 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.21 -51.4 7.98 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.359 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.496 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -111.38 28.04 9.11 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.618 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -45.87 -47.58 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.474 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.14 -36.79 34.18 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' B' ' 46' ' ' ASP . 18.6 t80 -73.97 -55.53 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.993 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.23 -13.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.458 -178.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.993 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.1 t70 -56.3 -27.84 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.36 26.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.392 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.404 HE21 ' HB2' ' B' ' 45' ' ' LEU . 29.7 mt-30 -66.48 -25.1 66.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.688 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -43.97 -32.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -58.07 -34.31 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -86.87 126.84 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -70.72 -20.01 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.24 30.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.557 HG23 ' N ' ' B' ' 55' ' ' ASP . 23.3 m -49.4 -44.17 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.557 ' N ' HG23 ' B' ' 54' ' ' VAL . 4.9 t70 -72.01 -29.77 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -53.09 -45.76 68.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.438 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.9 OUTLIER -72.92 -32.65 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.3 mmt -59.39 -27.88 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.73 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -55.34 -35.06 64.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.36 -63.23 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.647 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -64.43 -40.79 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.647 ' N ' HD12 ' B' ' 61' ' ' LEU . 22.7 t70 -52.44 -42.05 63.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.716 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.69 -31.6 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.659 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.5 m-20 -81.99 24.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.615 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.577 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -26.02 -50.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.57 -7.72 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.504 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.59 -175.42 44.5 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.121 -0.562 . . . . 0.0 111.843 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.91 144.73 37.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.541 -0.329 . . . . 0.0 110.345 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.916 HG11 HD12 ' B' ' 33' ' ' LEU . 8.2 p -94.13 138.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 69' ' ' VAL . 21.5 t70 -36.06 -95.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.635 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.9 OUTLIER -170.67 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 8.3 mp0 -55.94 -32.75 64.09 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -48.41 -22.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -66.43 -27.42 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.74 HG23 ' H ' ' B' ' 76' ' ' VAL . 35.5 m -50.6 -60.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.244 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.74 ' H ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -55.08 -37.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.676 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.58 -38.15 53.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 t -68.6 -32.54 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.411 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.5 79.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.17 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.61 -43.51 56.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 109.943 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.626 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.5 tt -76.48 -31.85 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.198 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -55.14 -59.1 5.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.706 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.423 HG13 ' N ' ' B' ' 84' ' ' ALA . 6.9 p -57.1 -39.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.627 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -57.01 -54.1 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.35 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -58.33 -42.86 87.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' B' ' 90' ' ' TRP . 4.7 m120 -56.91 -32.93 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.61 -47.25 67.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -66.66 -49.98 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.713 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.4 m95 -102.3 116.66 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.2 -38.07 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.542 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' B' ' 93' ' ' SER . 1.0 OUTLIER -52.49 -34.87 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.425 ' N ' ' ND2' ' B' ' 92' ' ' ASN . 27.0 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' B' ' 40' ' ' GLU . 26.5 t 53.26 28.22 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -72.36 -25.88 61.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.7 mm? -74.34 -48.13 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.447 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -51.24 -31.78 22.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m -68.69 -44.62 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.257 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.04 -33.82 68.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.97 -43.29 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -72.27 -37.15 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.734 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.728 HG21 ' HB2' ' B' ' 7' ' ' ALA . 17.9 m -54.24 -49.32 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.43 -37.57 87.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 83.7 mt -74.29 -37.67 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' N ' HD22 ' A' ' 13' ' ' ASN . 2.6 m120 -64.79 -56.96 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.496 HG21 HD21 ' A' ' 36' ' ' LEU . 9.7 p -51.84 -40.16 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.791 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.642 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 81.4 t80 -68.16 -46.65 70.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.347 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -57.45 -32.31 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.56 84.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.49 -99.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.4 m -120.11 127.31 52.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' GLU . 30.5 tttp -99.37 32.31 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.465 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.3 pt-20 -34.24 106.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -27.94 9.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 86.7 m-20 -105.54 135.92 46.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 81.4 mttt -36.09 158.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.76 129.76 17.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -170.24 124.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.536 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt -135.35 119.45 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' OG ' ' OE2' ' A' ' 32' ' ' GLU . 12.3 p -72.22 168.07 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.438 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 18.6 pttp -50.7 -45.19 58.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.703 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 26.1 mtpt -61.28 -47.29 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.981 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.04 8.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HG11 ' A' ' 69' ' ' VAL . 2.7 tt -63.15 -53.94 45.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HE3' HE22 ' A' ' 38' ' ' GLN . 16.8 tttp -50.82 -49.31 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 39' ' ' THR . 80.4 mm-40 -65.77 -32.63 74.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.329 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.8 tt -49.8 -57.54 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.486 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.32 -53.78 11.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.073 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' SER . 96.7 mt-30 -48.19 -44.07 32.4 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.668 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 35' ' ' GLU . 40.0 p -65.06 -29.29 70.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.52 -51.44 8.26 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.72 27.97 9.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.186 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.0 -48.73 16.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.18 -35.58 37.73 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.6 t80 -73.96 -56.31 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.017 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.16 -14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.335 -178.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.017 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.2 t70 -58.42 -26.86 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.869 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.77 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.73 -35.04 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -89.35 126.93 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.618 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 55.8 p30 -70.87 -19.8 62.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.85 -32.53 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 55' ' ' ASP . 17.1 m -52.59 -43.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 54' ' ' VAL . 5.3 t70 -68.75 -29.61 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -49.76 -46.88 51.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.88 -33.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.758 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.32 -27.7 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.606 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.78 -31.08 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.9 -63.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -67.26 -35.89 80.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' N ' HD12 ' A' ' 61' ' ' LEU . 46.0 t0 -57.22 -52.02 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.689 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -58.13 -26.1 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . 56.9 m-20 -81.37 24.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.13 -48.54 0.1 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.7 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 110.355 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.28 -175.32 44.95 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.68 -174.84 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.853 HG11 HD12 ' A' ' 33' ' ' LEU . 7.1 p -137.63 141.78 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -42.38 -90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.699 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -174.09 -57.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.463 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.698 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 8.6 mp0 -71.24 -29.29 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -48.08 -22.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.657 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -68.0 -27.03 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 30.8 m -50.79 -60.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.154 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -54.52 -38.7 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.74 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -51.95 -33.17 36.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.641 -0.424 . . . . 0.0 109.89 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.3 -36.51 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -50.97 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.94 -31.61 18.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.9 tt -76.75 -45.44 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.246 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.599 ' OG1' HD11 ' B' ' 12' ' ' ILE . 0.7 OUTLIER -71.91 -47.43 52.65 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.25 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' NE2' ' B' ' 72' ' ' GLN . 8.1 p -51.47 -40.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.466 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -69.43 -35.14 75.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.302 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.9 -50.52 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.44 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -55.83 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.484 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 90' ' ' TRP . 96.1 m-20 -55.97 -29.95 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.455 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.29 -45.41 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -66.94 -47.65 71.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.538 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.449 ' O ' ' O ' ' A' ' 87' ' ' ASN . 12.0 m95 -98.3 112.27 24.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.454 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -146.22 66.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -85.61 111.57 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.457 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 26.4 t 53.21 28.23 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 0.0 110.503 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -72.37 -25.85 61.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.805 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -74.33 -48.13 30.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.15 -31.91 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -68.61 -44.6 73.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.25 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.18 -33.69 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.592 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.0 mtp -51.95 -43.39 63.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.505 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.21 -37.19 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.728 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.74 HG21 ' HB2' ' A' ' 7' ' ' ALA . 17.8 m -54.21 -49.39 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.751 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.39 -37.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.599 HD11 ' OG1' ' A' ' 82' ' ' THR . 83.9 mt -74.3 -37.65 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.425 ' N ' HD22 ' B' ' 13' ' ' ASN . 2.7 m120 -64.83 -56.91 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.502 HG21 HD21 ' B' ' 36' ' ' LEU . 9.6 p -51.82 -40.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.651 ' CD1' ' CE1' ' B' ' 71' ' ' PHE . 81.4 t80 -68.22 -46.65 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -57.35 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.5 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -74.46 -99.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -120.15 127.28 52.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.61 -45.23 1.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' B' ' 22' ' ' GLU . 30.5 tttp -99.42 32.21 2.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.352 . . . . 0.0 110.465 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 21' ' ' LYS . 9.3 pt-20 -33.95 106.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.819 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.34 -27.86 8.44 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 25' ' ' LYS . 87.0 m-20 -105.69 135.86 46.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.748 0.309 . . . . 0.0 110.189 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 24' ' ' ASP . 81.6 mttt -35.94 158.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.665 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.68 129.73 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -170.25 124.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -135.43 119.49 17.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.468 ' OG ' ' OE2' ' B' ' 32' ' ' GLU . 12.2 p -72.1 168.13 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.419 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.522 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 18.8 pttp -50.87 -45.06 59.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.522 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 26.0 mtpt -61.35 -47.28 86.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -48.0 -56.1 8.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.672 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.863 HD12 HG11 ' B' ' 69' ' ' VAL . 2.7 tt -63.03 -54.03 44.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HE3' HE22 ' B' ' 38' ' ' GLN . 16.7 tttp -50.74 -49.36 58.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.528 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 39' ' ' THR . 80.2 mm-40 -65.76 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.273 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.511 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.8 tt -49.77 -57.53 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.532 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.437 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.37 -53.6 11.85 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.124 -178.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 96.6 mt-30 -48.33 -44.05 33.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.636 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 35' ' ' GLU . 40.0 p -65.03 -29.3 70.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.36 8.33 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.855 179.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.48 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.76 27.96 9.05 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.182 -179.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.05 -48.66 16.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.577 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.48 37.65 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 21.7 t80 -74.07 -56.22 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.023 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.11 -14.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.43 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.023 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.2 t70 -58.35 -26.96 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.967 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -35.63 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.531 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.54 -26.06 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -44.0 -30.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.68 -35.09 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . . . -89.32 127.02 35.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 55.8 p30 -70.96 -19.76 62.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.77 -32.58 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.685 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' B' ' 55' ' ' ASP . 17.0 m -52.53 -43.03 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 54' ' ' VAL . 5.3 t70 -68.89 -29.46 67.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -49.84 -46.9 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -32.99 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.784 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.7 mmt -55.5 -27.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -52.77 -31.04 36.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.694 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.02 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -67.27 -35.86 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' N ' HD12 ' B' ' 61' ' ' LEU . 45.9 t0 -57.28 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.646 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -58.01 -26.16 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 67' ' ' GLY . 56.6 m-20 -81.27 24.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.27 -48.45 0.1 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 48.8 p30 -110.44 -3.65 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.372 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.38 -175.34 44.8 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.75 -174.85 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 110.241 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.863 HG11 HD12 ' B' ' 33' ' ' LEU . 7.1 p -137.71 141.83 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -42.38 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.704 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -174.07 -58.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.704 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 8.7 mp0 -71.11 -29.27 65.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.66 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -48.26 -22.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.547 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -68.05 -27.05 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' B' ' 76' ' ' VAL . 30.5 m -50.79 -59.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.286 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.2 p -54.42 -38.79 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.726 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.93 -33.21 36.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.25 -36.57 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.99 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.762 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.9 -31.61 18.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 0.0 110.401 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.9 tt -76.83 -45.35 28.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.26 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -71.98 -47.41 52.3 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.224 -179.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' B' ' 82' ' ' THR . 8.2 p -51.47 -40.67 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.513 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.479 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -69.43 -35.21 75.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.364 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 51.9 t -73.79 -50.61 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.423 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.89 -37.47 68.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' B' ' 90' ' ' TRP . 96.1 m-20 -55.95 -29.98 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -55.34 -45.38 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -66.89 -47.71 70.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.9 m95 -98.23 112.24 24.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.454 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -146.22 66.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.72 111.59 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.487 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.549 ' N ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' H ' ' CB ' ' B' ' 40' ' ' GLU . 74.7 m 56.37 29.17 14.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.516 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 10' ' ' THR . 65.7 mm-40 -72.06 -27.75 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.4 mm? -74.24 -48.27 29.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -31.85 27.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -66.35 -44.16 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.01 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.08 -32.79 67.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 mtp -51.81 -43.21 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.21 -38.31 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.835 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -53.88 -45.59 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.725 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -71.03 -35.12 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.59 HD11 ' OG1' ' B' ' 82' ' ' THR . 90.8 mt -73.98 -39.0 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.703 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.97 -35.19 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.6 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.67 -33.86 73.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.18 89.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -75.17 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.1 t -120.24 136.65 54.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.06 -45.08 0.65 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' GLU . 73.8 tttt -98.36 40.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.318 . . . . 0.0 110.634 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.7 pt-20 -33.69 106.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.712 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.5 -30.84 13.4 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 87.9 m-20 -109.93 141.33 42.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ASP . 68.2 mttm -36.5 150.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.593 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.3 p90 -41.76 113.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 9.4 pttp -165.69 125.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -130.94 118.42 20.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.48 164.33 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.313 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 22.0 pttt -50.62 -48.09 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.993 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 53.4 mttm -57.91 -50.34 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.09 -45.36 75.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.957 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.5 tt -75.22 -56.36 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.714 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' HE22 ' A' ' 38' ' ' GLN . 76.8 tttt -49.19 -41.37 36.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 39' ' ' THR . 63.8 mm-40 -72.05 -31.94 66.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 8.6 tt -48.75 -57.34 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -72.24 -54.11 10.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.976 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.603 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.6 mt-30 -48.51 -44.61 36.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 35' ' ' GLU . 41.9 p -63.95 -29.34 70.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -81.06 -50.47 9.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.415 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.8 8.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.017 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -46.47 -50.43 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.714 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.08 -33.33 45.62 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 26.4 t80 -74.19 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.2 -15.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.324 -178.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.3 t0 -55.49 -27.04 46.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.065 0.459 . . . . 0.0 109.856 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.22 -37.76 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ALA . 47.3 mt-30 -69.32 -26.46 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -43.78 -34.48 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 62.4 t0 -60.49 -33.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -85.99 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 54.0 p30 -70.95 -19.47 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -51.56 -29.35 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' N ' ' A' ' 55' ' ' ASP . 13.4 m -55.55 -45.63 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 54' ' ' VAL . 22.9 t0 -65.76 -29.38 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.721 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.38 50.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.3 -33.03 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.739 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.8 mmt -55.78 -28.22 54.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.444 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.12 -30.8 60.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.352 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.88 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.01 -31.29 70.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' GLU . 24.0 t70 -66.02 -53.26 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 84.8 tt0 -39.95 -61.18 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 67' ' ' GLY . 91.9 m-20 -93.46 24.79 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -37.87 -51.04 2.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.97 -25.82 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.592 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -91.53 -160.26 36.16 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.71 -174.9 4.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.321 -0.439 . . . . 0.0 109.958 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.429 HG23 ' OE1' ' A' ' 73' ' ' GLU . 5.6 p -149.11 150.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.741 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' VAL . 40.9 t0 -42.45 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 t80 -179.44 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -50.67 -38.28 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' HG23 ' A' ' 69' ' ' VAL . 93.5 mt-10 -48.41 -22.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.362 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.763 HG23 ' N ' ' A' ' 76' ' ' VAL . 33.8 m -50.77 -59.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.805 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.763 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.0 p -54.26 -38.91 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.769 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.8 -32.87 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.473 HG21 HD12 ' B' ' 4' ' ' LEU . 39.7 t -70.97 -35.44 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.225 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -50.59 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.944 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.93 -31.2 16.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.413 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.6 tt -76.86 -48.56 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.57 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.0 OUTLIER -69.64 -46.88 65.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.281 -179.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.546 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 6.1 p -52.87 -40.36 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.601 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -63.82 -34.0 76.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -74.02 -40.87 62.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.565 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -39.38 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 70.8 m-80 -61.48 -28.17 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.36 -49.7 75.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.665 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -80.98 -37.94 28.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.669 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -132.59 89.71 2.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 11.0 pt-20 -62.51 -13.37 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' GLU . 64.9 m-20 38.46 -129.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.545 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.524 ' N ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.434 ' H ' ' CB ' ' A' ' 40' ' ' GLU . 74.8 m 56.44 29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 10' ' ' THR . 65.5 mm-40 -72.05 -27.69 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.922 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.794 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.4 mm? -74.27 -48.31 29.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -31.91 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.112 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -66.21 -44.21 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.1 -32.67 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.271 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 19.0 mtp -51.9 -43.25 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.22 -38.2 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.0 m -53.9 -45.66 71.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.9 -35.11 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.57 HD11 ' OG1' ' A' ' 82' ' ' THR . 90.6 mt -74.06 -38.89 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.69 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.07 -35.14 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 51.3 t80 -63.39 -56.7 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.642 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.57 -33.89 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.692 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.27 89.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -75.1 -100.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.643 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.2 t -120.25 136.69 54.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -45.12 0.65 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 22' ' ' GLU . 73.8 tttt -98.34 40.19 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.747 0.308 . . . . 0.0 110.68 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' B' ' 21' ' ' LYS . 5.7 pt-20 -33.53 105.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.773 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.33 -30.66 11.97 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 87.7 m-20 -109.95 141.24 42.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 68.1 mttm -36.56 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.628 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.3 p90 -41.74 113.65 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' B' ' 27' ' ' LYS . 9.4 pttp -165.67 125.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -130.88 118.35 20.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -64.44 164.3 11.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.559 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 22.1 pttt -50.56 -48.14 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.559 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 53.5 mttm -57.84 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.07 -45.31 75.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.6 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.5 tt -75.31 -56.26 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HE2' HE22 ' B' ' 38' ' ' GLN . 77.0 tttt -49.2 -41.32 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.031 0.444 . . . . 0.0 110.315 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.653 ' O ' HG23 ' B' ' 39' ' ' THR . 63.8 mm-40 -72.15 -31.86 66.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.774 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.5 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 8.7 tt -49.0 -57.22 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.369 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.46 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -72.21 -54.19 10.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.89 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.6 mt-30 -48.48 -44.63 35.96 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.426 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.653 HG23 ' O ' ' B' ' 35' ' ' GLU . 42.0 p -63.93 -29.35 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -81.0 -50.48 9.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.458 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.55 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -105.98 27.77 8.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.932 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.596 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -46.56 -50.39 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.748 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.05 -33.32 45.75 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.432 ' C ' ' N ' ' B' ' 46' ' ' ASP . 26.8 t80 -74.22 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.035 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.14 -15.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.382 -178.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.035 ' N ' HD23 ' B' ' 45' ' ' LEU . 10.4 t0 -55.51 -27.03 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 109.877 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.19 -37.89 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' B' ' 51' ' ' ALA . 47.5 mt-30 -69.18 -26.48 64.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.747 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -43.77 -34.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.4 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 62.3 t0 -60.57 -33.5 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.486 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -85.97 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 54.0 p30 -70.93 -19.44 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.584 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -51.66 -29.36 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.597 HG23 ' N ' ' B' ' 55' ' ' ASP . 13.3 m -55.59 -45.6 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.419 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.597 ' N ' HG23 ' B' ' 54' ' ' VAL . 22.9 t0 -65.73 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.643 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.81 -46.31 50.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.44 -33.02 32.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.733 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.7 -28.18 54.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.357 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -55.18 -30.87 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.34 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -67.94 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.05 -31.33 70.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 24.0 t70 -65.97 -53.28 40.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 84.8 tt0 -39.86 -61.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . 91.9 m-20 -93.51 24.77 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.229 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.93 -51.05 2.07 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.91 -25.85 65.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.614 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.52 -160.15 36.07 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -140.75 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.403 -0.398 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.431 HG23 ' OE1' ' B' ' 73' ' ' GLU . 5.7 p -149.12 150.98 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 40.8 t0 -42.54 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.368 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 22.1 t80 -179.51 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.634 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -50.73 -38.22 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.637 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' B' ' 69' ' ' VAL . 93.6 mt-10 -48.45 -22.71 0.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.308 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.1 OUTLIER -68.36 -26.31 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.761 HG23 ' N ' ' B' ' 76' ' ' VAL . 33.7 m -50.46 -59.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.873 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.761 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.0 p -54.34 -38.86 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.675 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -51.87 -32.84 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.487 HG21 HD12 ' A' ' 4' ' ' LEU . 39.7 t -70.94 -35.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.266 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.53 -50.57 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.2 16.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.396 . . . . 0.0 110.488 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.639 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.6 tt -76.91 -48.51 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -69.69 -46.82 65.16 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.291 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.547 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 6.0 p -52.91 -40.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -63.91 -34.03 77.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.98 -40.83 62.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -39.39 87.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 70.9 m-80 -61.37 -28.26 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.721 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -57.28 -49.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -81.02 -38.01 28.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.564 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -132.58 89.77 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' B' ' 92' ' ' ASN . 11.0 pt-20 -62.45 -13.48 30.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 91' ' ' GLU . 65.1 m-20 38.43 -129.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.497 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.611 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.8 p 82.74 27.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.408 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.511 ' O ' ' CG2' ' B' ' 10' ' ' THR . 72.5 mm-40 -72.29 -25.12 61.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.791 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.8 mm? -74.52 -42.01 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -36.37 79.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.287 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 m -60.07 -44.19 94.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.1 -37.93 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 mtt -55.17 -46.0 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -69.7 -36.05 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.642 HG21 ' HB2' ' B' ' 7' ' ' ALA . 15.6 m -57.1 -46.37 82.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CG1' ' A' ' 75' ' ' VAL . 25.9 mt -72.18 -38.31 69.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.44 -32.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.661 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -64.71 -57.22 9.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.7 p -58.81 -39.91 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.789 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.1 t80 -64.23 -47.43 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 5.6 t-80 -63.16 -31.2 72.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.614 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.94 73.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -67.31 -97.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -120.02 133.0 55.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.468 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.84 -45.16 3.19 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 22' ' ' GLU . 74.4 tttt -103.53 39.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.576 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.0 pt-20 -34.81 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.707 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.58 -28.5 10.45 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' LYS . 53.1 m-20 -110.07 140.6 43.95 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 24' ' ' ASP . 57.1 mttp -36.85 153.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.557 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -52.37 103.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -146.91 137.63 23.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.143 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -133.31 128.04 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.665 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.84 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.396 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 16.8 pttp -50.59 -46.11 57.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.505 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.1 mtpt -58.36 -50.24 74.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.635 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -51.3 -37.76 49.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -75.19 -56.6 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.477 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.76 -37.96 71.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.243 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' OG1' ' A' ' 39' ' ' THR . 71.2 mm-40 -72.0 -33.58 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.1 tt -50.79 -58.46 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.466 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.51 -50.1 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.83 -179.224 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 42' ' ' SER . 90.2 mt-30 -48.48 -49.48 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.914 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.0 p -62.48 -29.84 70.82 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.742 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' H ' ' B' ' 2' ' ' SER . 0.0 OUTLIER -82.29 -52.23 7.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.93 28.31 7.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.743 0.306 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -48.95 -50.12 37.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.344 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.56 -38.99 31.12 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.026 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 46' ' ' ASP . 27.3 t80 -67.3 -60.1 2.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.059 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.37 -16.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.325 -179.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.059 ' N ' HD23 ' A' ' 45' ' ' LEU . 9.5 t0 -57.42 -26.74 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.007 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.13 -21.48 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.524 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ALA . 65.5 mt-30 -81.36 -21.77 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.58 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -87.65 128.83 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -70.99 -19.63 62.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.54 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.648 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 55' ' ' ASP . 4.9 m -64.37 -42.42 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.47 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.593 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.0 49.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.991 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -72.28 -32.65 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.561 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.46 -27.89 64.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -53.04 -31.56 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.18 -63.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.719 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.3 pp -66.72 -36.82 83.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' A' ' 61' ' ' LEU . 33.0 t70 -53.29 -51.77 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.646 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -60.88 -25.02 66.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' GLY . 90.4 m-20 -82.52 24.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' ' CE ' ' A' ' 30' ' ' LYS . . . -29.28 -49.94 0.12 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.77 2.63 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.759 0.314 . . . . 0.0 110.477 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.29 -175.6 44.89 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.687 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.56 143.78 20.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG11 HD12 ' A' ' 33' ' ' LEU . 5.2 p -95.37 152.51 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' VAL . 12.7 t70 -59.54 -73.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.5 OUTLIER 172.49 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.14 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' A' ' 75' ' ' VAL . 7.6 mp0 -61.87 -28.48 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 78.5 mt-10 -63.18 -23.41 67.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.64 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.12 -27.6 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.766 0.317 . . . . 0.0 111.072 -179.016 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 72' ' ' GLN . 22.6 m -51.49 -59.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.714 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.748 ' N ' HG23 ' A' ' 75' ' ' VAL . 1.2 p -51.97 -36.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.784 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.95 -39.99 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.571 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 96.9 t -63.53 -33.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.881 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -57.71 -47.61 81.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -44.98 57.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.115 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tt -76.18 -31.63 58.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.912 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 15.1 m -56.89 -61.17 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.714 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.7 p -56.89 -42.04 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.785 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -55.25 -41.83 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.509 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.09 -39.42 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -42.59 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.83 -34.49 69.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.29 -45.92 82.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -117.4 112.59 20.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.45 20.49 12.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.414 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -48.77 -35.35 14.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.66 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.543 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 1.8 p 82.74 27.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 72.6 mm-40 -72.39 -25.15 61.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.792 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.8 mm? -74.44 -42.0 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.95 -36.29 78.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 110.325 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.2 m -60.23 -44.09 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.642 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.12 -37.95 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.13 -46.01 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.68 -36.13 75.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 7' ' ' ALA . 15.6 m -57.06 -46.3 82.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.552 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.9 mt -72.23 -38.35 68.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.33 -32.16 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.67 -57.13 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.5 p -58.9 -39.87 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.458 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -64.26 -47.42 79.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.569 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 5.7 t-80 -63.17 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.12 -37.03 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -67.27 -98.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -119.98 133.04 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.88 -45.19 3.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' B' ' 22' ' ' GLU . 74.4 tttt -103.49 38.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.954 0.407 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 21' ' ' LYS . 6.1 pt-20 -34.65 106.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.754 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.28 -28.39 8.82 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' B' ' 25' ' ' LYS . 53.1 m-20 -110.16 140.58 44.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 0.0 110.178 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' B' ' 24' ' ' ASP . 56.9 mttp -36.88 153.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.547 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -52.23 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -146.93 137.64 23.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.186 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.26 128.05 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.682 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -75.03 166.92 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.389 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 16.8 pttp -50.56 -46.16 57.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.577 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 50.1 mtpt -58.39 -50.24 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.67 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -51.25 -37.77 48.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -75.18 -56.76 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -56.67 -38.01 71.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.201 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.492 ' O ' ' OG1' ' B' ' 39' ' ' THR . 71.3 mm-40 -72.02 -33.57 68.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.412 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -50.79 -58.4 6.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.527 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.571 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.47 -50.16 28.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.864 -179.286 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' B' ' 42' ' ' SER . 90.2 mt-30 -48.36 -49.56 34.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.983 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.2 p -62.31 -29.93 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.852 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' H ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -82.16 -52.27 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 179.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -105.87 28.23 7.76 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.61 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -49.1 -50.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.311 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.49 -39.0 31.48 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.053 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.046 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.42 -16.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.272 -179.304 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.046 ' N ' HD23 ' B' ' 45' ' ' LEU . 9.5 t0 -57.5 -26.75 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.43 24.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' B' ' 51' ' ' ALA . 65.6 mt-30 -81.49 -21.7 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -43.87 -30.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.56 -34.06 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -87.71 128.83 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -71.02 -19.61 62.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -26.58 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 55' ' ' ASP . 4.9 m -64.4 -42.37 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.521 ' N ' HG23 ' B' ' 54' ' ' VAL . 7.5 t70 -68.27 -29.46 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -49.68 -49.01 49.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.962 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.417 HG13 ' H ' ' B' ' 57' ' ' VAL . 0.7 OUTLIER -72.27 -32.74 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.54 -179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mmt -58.45 -27.91 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -53.13 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.793 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -68.23 -63.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.713 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.537 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.3 pp -66.71 -36.79 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.537 ' N ' HD12 ' B' ' 61' ' ' LEU . 33.0 t70 -53.31 -51.72 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.89 -25.11 66.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . 90.3 m-20 -82.47 24.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.531 ' O ' ' CE ' ' B' ' 30' ' ' LYS . . . -29.4 -49.85 0.12 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -110.72 2.56 18.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.22 -175.65 44.99 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -155.55 143.86 20.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.642 HG11 HD12 ' B' ' 33' ' ' LEU . 5.1 p -95.42 152.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.46 -73.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.5 OUTLIER 172.44 -61.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.779 ' O ' HG22 ' B' ' 75' ' ' VAL . 7.6 mp0 -61.83 -28.57 69.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -63.1 -23.48 67.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.644 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.539 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.11 -27.58 69.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.689 0.28 . . . . 0.0 110.994 -178.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.779 HG22 ' O ' ' B' ' 72' ' ' GLN . 22.6 m -51.56 -59.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.689 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.764 ' N ' HG23 ' B' ' 75' ' ' VAL . 1.2 p -51.96 -36.93 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.773 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 tp -51.9 -40.08 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.549 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' B' ' 82' ' ' THR . 97.1 t -63.43 -33.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.912 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -57.66 -47.69 81.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.03 55.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.196 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.519 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.1 tt -76.21 -31.63 58.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.895 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 15.3 m -56.94 -61.11 2.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.779 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 84' ' ' ALA . 10.7 p -56.88 -42.08 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.683 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -55.31 -41.79 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.15 -39.45 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -42.66 83.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.702 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.76 -34.51 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -56.35 -48.09 77.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.27 -46.02 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -117.29 112.61 20.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.599 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.49 20.53 12.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.426 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -48.77 -35.47 14.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.579 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' H ' ' HB3' ' B' ' 40' ' ' GLU . 70.7 m 56.65 31.35 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.1 -26.57 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.849 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.5 mm? -74.5 -47.99 29.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.261 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -33.46 32.77 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -66.23 -43.77 85.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.826 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.3 -36.52 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.98 -42.35 62.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.425 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.39 -38.23 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.73 HG21 ' HB2' ' B' ' 7' ' ' ALA . 16.4 m -53.91 -44.88 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 75' ' ' VAL . 26.0 mt -72.06 -36.76 69.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.752 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' B' ' 82' ' ' THR . 81.6 mt -74.38 -33.38 33.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.779 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -71.26 -57.27 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -52.3 -36.68 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.547 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 14' ' ' VAL . 71.2 t80 -72.04 -41.79 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -59.01 -36.6 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.09 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.33 -100.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.2 m -120.14 135.76 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.99 -45.08 0.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' GLU . 67.7 tttt -96.0 30.99 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.501 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 7.4 pt-20 -33.87 106.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.61 -29.03 11.47 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 25' ' ' LYS . 44.8 t0 -110.13 143.14 40.64 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 24' ' ' ASP . 55.5 mttm -43.67 172.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -45.48 135.23 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.762 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -175.04 124.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.302 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.43 115.19 9.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.559 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t -70.85 167.08 19.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 4.4 pttm -50.38 -47.54 56.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 60.7 mttm -56.05 -50.39 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.179 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 29' ' ' SER . 34.7 mt-10 -48.56 -56.08 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.686 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.871 HD12 HG11 ' A' ' 69' ' ' VAL . 2.2 tt -67.76 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.236 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HZ3' ' CD ' ' A' ' 38' ' ' GLN . 60.9 tttm -50.0 -48.04 52.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 39' ' ' THR . 69.0 mm-40 -67.9 -32.17 72.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.203 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.7 tt -49.24 -57.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.436 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.5 -52.53 15.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.021 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' O ' ' N ' ' A' ' 42' ' ' SER . 26.5 mt-30 -48.58 -45.31 37.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.696 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 35' ' ' GLU . 35.6 p -64.57 -29.21 70.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -81.43 -51.37 8.39 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.876 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.94 9.07 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.143 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.45 21.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.622 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.21 -36.23 35.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.1 t80 -73.12 -56.99 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.005 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.388 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.005 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.4 t70 -56.69 -29.38 62.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.89 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.24 -34.11 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' ALA . 98.3 mt-30 -75.03 -29.32 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.99 -35.41 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.09 -29.63 68.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -88.95 131.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.84 -19.84 62.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -31.9 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 55' ' ' ASP . 11.4 m -56.0 -44.07 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 54' ' ' VAL . 25.3 t0 -66.55 -29.35 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.651 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.63 -47.89 49.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.46 -32.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.811 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.32 -27.87 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.14 -30.89 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.52 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -68.67 -38.4 80.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.678 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' ' 61' ' ' LEU . 27.3 t70 -60.11 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -40.0 -61.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.805 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 67' ' ' GLY . 89.6 m-20 -87.4 24.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.4 -50.16 5.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.97 62.39 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.98 -166.46 40.77 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.65 167.13 20.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.051 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.871 HG11 HD12 ' A' ' 33' ' ' LEU . 7.3 p -121.73 143.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.577 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' ' O ' ' A' ' 69' ' ' VAL . 32.1 t70 -43.66 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.671 ' CE2' ' NE2' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -167.17 -70.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.376 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.671 ' NE2' ' CE2' ' A' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.88 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.784 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -48.73 -23.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.743 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -72.97 -26.15 61.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 76' ' ' VAL . 28.1 m -49.69 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.288 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.733 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.2 p -57.69 -38.34 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.609 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.21 -33.0 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.19 -35.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -53.14 32.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.978 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.66 -30.05 12.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.04 -45.88 25.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.31 -47.09 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.308 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.7 p -54.25 -38.9 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.679 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.68 -31.89 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.45 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.48 -48.91 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.88 -44.09 77.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 1.4 m-80 -66.48 -35.19 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -66.59 -53.27 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.71 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -68.45 -50.01 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -108.8 143.54 37.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.84 114.91 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.58 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -74.64 157.44 35.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.53 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.595 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.463 ' OG ' ' OE2' ' B' ' 5' ' ' GLU . 70.6 m 56.67 31.32 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -72.09 -26.51 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.865 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.5 mm? -74.54 -47.92 29.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.275 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.463 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 0.6 OUTLIER -51.67 -33.44 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -66.29 -43.62 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.874 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.33 -36.54 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.93 -42.52 62.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.25 -38.26 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.734 HG21 ' HB2' ' A' ' 7' ' ' ALA . 16.3 m -53.99 -44.79 71.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.649 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.469 HD13 ' CG1' ' B' ' 75' ' ' VAL . 25.7 mt -72.07 -36.81 69.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.481 HD11 ' OG1' ' A' ' 82' ' ' THR . 82.0 mt -74.36 -33.4 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -71.2 -57.3 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -52.37 -36.52 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.598 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.418 ' N ' HG13 ' B' ' 14' ' ' VAL . 70.4 t80 -72.18 -41.72 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.497 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -59.06 -36.62 75.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.16 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -74.29 -100.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -120.11 135.73 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.93 -45.09 0.65 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' B' ' 22' ' ' GLU . 67.7 tttt -96.05 31.0 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 21' ' ' LYS . 7.4 pt-20 -33.55 105.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.851 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.21 -29.05 9.23 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' B' ' 25' ' ' LYS . 44.8 t0 -110.11 143.13 40.62 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' B' ' 24' ' ' ASP . 55.5 mttm -43.82 172.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -45.66 135.23 6.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -174.96 124.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.266 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.47 115.25 9.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.528 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.456 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 14.1 t -70.93 167.04 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.467 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.546 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 4.4 pttm -50.29 -47.53 55.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.981 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 60.6 mttm -56.15 -50.28 71.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.2 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 29' ' ' SER . 34.7 mt-10 -48.59 -56.1 9.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.676 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.901 HD12 HG11 ' B' ' 69' ' ' VAL . 2.2 tt -67.73 -56.45 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.248 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 60.9 tttm -49.93 -48.04 52.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.047 0.451 . . . . 0.0 110.669 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG23 ' B' ' 39' ' ' THR . 69.0 mm-40 -67.85 -32.22 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.505 ' C ' HD23 ' B' ' 36' ' ' LEU . 8.7 tt -49.2 -57.68 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.451 -178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.435 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -72.49 -52.47 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.045 -178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' B' ' 42' ' ' SER . 26.5 mt-30 -48.6 -45.43 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.636 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 35' ' ' GLU . 35.6 p -64.55 -29.12 70.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -81.55 -51.3 8.4 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.832 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -109.77 27.88 9.13 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.197 -179.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.601 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.1 OUTLIER -46.84 -47.5 21.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.533 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.31 -36.09 35.66 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' B' ' 46' ' ' ASP . 20.9 t80 -73.21 -56.89 4.49 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.006 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -50.21 -12.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.304 -178.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.006 ' N ' HD23 ' B' ' 45' ' ' LEU . 3.4 t70 -56.73 -29.32 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.879 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.26 -34.0 43.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' B' ' 51' ' ' ALA . 98.3 mt-30 -75.13 -29.25 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -43.94 -35.48 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -29.68 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.463 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -89.09 131.07 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.573 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.8 -19.86 62.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.97 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.744 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 55' ' ' ASP . 11.3 m -56.03 -44.04 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.504 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.569 ' N ' HG23 ' B' ' 54' ' ' VAL . 25.0 t0 -66.5 -29.46 69.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.661 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -49.65 -47.8 49.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -32.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.795 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.29 -27.86 49.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -53.17 -30.87 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.49 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -68.73 -38.36 80.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.745 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.531 ' N ' HD12 ' B' ' 61' ' ' LEU . 27.2 t70 -60.08 -63.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -39.96 -61.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.788 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 67' ' ' GLY . 89.7 m-20 -87.41 24.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.42 -50.19 5.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -59.01 -23.99 62.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.36 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -91.01 -166.47 40.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -132.63 167.01 20.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.442 -0.379 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.901 HG11 HD12 ' B' ' 33' ' ' LEU . 7.3 p -121.64 143.63 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 69' ' ' VAL . 32.1 t70 -43.7 -97.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.685 ' CE2' ' NE2' ' B' ' 72' ' ' GLN . 0.8 OUTLIER -167.12 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.302 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.685 ' NE2' ' CE2' ' B' ' 71' ' ' PHE . 13.1 mp0 -57.11 -28.93 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -48.63 -23.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -72.98 -25.93 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.738 HG23 ' N ' ' B' ' 76' ' ' VAL . 28.3 m -49.91 -57.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.124 -0.631 . . . . 0.0 111.281 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.738 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.1 p -57.72 -38.25 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.619 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -52.24 -32.97 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.28 -35.05 56.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -53.03 32.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.67 -30.02 12.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.99 0.424 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.637 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.03 -45.93 25.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.7 OUTLIER -69.37 -47.0 65.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.329 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 4.7 p -54.17 -38.98 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -66.72 -31.88 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.421 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.0 t -73.56 -48.89 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.9 -44.02 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.668 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 1.4 m-80 -66.51 -35.1 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.76 -53.09 36.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.48 -50.08 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -108.72 143.63 37.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.01 114.86 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.566 ' N ' HD22 ' B' ' 92' ' ' ASN . 0.0 OUTLIER -74.55 157.49 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.581 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 2.1 p 83.56 17.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.27 -23.63 62.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.763 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.6 mm? -72.94 -51.3 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.131 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -32.02 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.553 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -65.19 -46.09 82.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.798 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.13 -33.14 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.07 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.813 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.32 -37.63 68.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.827 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.5 m -54.24 -49.76 68.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.884 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 75' ' ' VAL . 60.2 mt -67.48 -32.0 72.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.92 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.666 HD11 ' OG1' ' B' ' 82' ' ' THR . 78.0 mt -74.39 -49.16 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.779 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.5 -57.17 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.6 p -51.85 -37.14 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 64.5 t80 -72.28 -55.39 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -48.82 -28.07 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.626 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.11 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -75.12 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.667 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.44 114.87 22.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.702 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -3.31 21.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' O ' ' N ' ' A' ' 23' ' ' GLY . 10.3 tttt -94.88 0.51 54.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.314 . . . . 0.0 110.448 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.07 75.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.053 0.454 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -67.37 -19.29 70.45 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 25' ' ' LYS . 39.0 m-20 -108.17 161.35 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.453 -0.373 . . . . 0.0 110.065 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 24' ' ' ASP . 32.2 mttm -19.86 128.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.615 0.572 . . . . 0.0 111.849 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -100.06 117.22 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.362 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -140.14 151.62 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -135.66 129.31 32.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 163.77 23.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.328 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 17.1 pttp -50.65 -45.05 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 22.1 mtpp -59.08 -50.09 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.29 -47.72 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -73.01 -56.05 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HE2' HE22 ' A' ' 38' ' ' GLN . 79.0 tttt -49.98 -41.59 47.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.204 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 39' ' ' THR . 77.0 mm-40 -72.45 -32.79 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.306 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 6.5 tt -49.81 -57.33 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.66 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -68.73 -55.81 10.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.845 -179.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 42' ' ' SER . 95.5 mt-30 -48.24 -48.65 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 35' ' ' GLU . 63.4 p -60.58 -29.99 69.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.57 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -82.34 -52.46 6.9 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.257 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.33 27.98 8.79 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.958 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -48.07 -47.32 34.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.687 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.25 -35.07 38.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' C ' ' N ' ' A' ' 46' ' ' ASP . 21.9 t80 -74.09 -56.78 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.003 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -50.04 -12.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.311 -178.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.003 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.4 t0 -57.82 -29.26 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.831 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.7 -27.25 34.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.527 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ALA . 28.1 mt-30 -72.18 -22.0 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -43.98 -26.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 67.7 t0 -64.7 -35.43 81.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.642 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 54' ' ' VAL . . . -88.11 123.47 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.641 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -69.98 -19.75 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.76 -27.66 12.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 55' ' ' ASP . 16.1 m -53.26 -43.02 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 54' ' ' VAL . 3.3 t70 -72.24 -29.73 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.26 -47.36 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.446 ' H ' HG13 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -72.05 -38.51 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.4 mmt -51.0 -27.96 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.524 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -55.69 -32.03 62.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.46 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.91 -37.39 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.586 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' ' 61' ' ' LEU . 42.9 t0 -53.33 -50.56 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.34 -31.09 20.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . 63.2 m-20 -83.0 24.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 64' ' ' ASP . . . -29.0 -46.45 0.07 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -110.73 -8.53 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 64' ' ' ASP . . . -90.4 -175.01 44.82 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.879 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.81 -175.0 3.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.433 -0.383 . . . . 0.0 110.225 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.752 HG11 HD12 ' A' ' 33' ' ' LEU . 9.1 p -138.78 137.82 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.376 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' VAL . 51.3 t0 -35.43 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -176.73 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.134 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.696 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.7 mp0 -50.78 -34.86 29.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.208 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.18 -26.07 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.501 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' N ' ' A' ' 76' ' ' VAL . 29.4 m -57.81 -60.22 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.49 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.765 ' N ' HG23 ' A' ' 75' ' ' VAL . 2.4 p -53.46 -38.75 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 110.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.59 -38.27 53.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.27 -32.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.214 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.08 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.095 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.38 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.547 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.0 tt -77.0 -42.08 40.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.678 ' OG1' HD11 ' B' ' 12' ' ' ILE . 1.2 t -72.08 -47.67 49.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.251 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.564 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.6 p -53.14 -37.54 27.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -68.79 -39.84 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.295 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.5 t -73.64 -41.57 62.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -55.95 -36.68 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 3.2 m120 -60.79 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.8 -51.01 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -62.89 -47.9 81.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.363 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 87' ' ' ASN . 8.5 m95 -104.28 112.24 25.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -137.83 26.92 2.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -54.23 -32.75 56.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.572 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 2.1 p 83.46 17.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -71.42 -23.57 61.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.762 HD22 ' N ' ' B' ' 4' ' ' LEU . 2.6 mm? -72.95 -51.4 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -32.08 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -65.25 -45.93 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.639 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.22 -33.13 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtp -52.22 -44.16 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.789 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.21 -37.73 69.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.798 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.5 m -54.09 -49.94 67.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' B' ' 75' ' ' VAL . 60.3 mt -67.4 -31.99 72.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.678 HD11 ' OG1' ' A' ' 82' ' ' THR . 77.5 mt -74.4 -49.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -54.46 -57.14 12.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.6 p -51.97 -37.13 20.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 64.4 t80 -72.25 -55.38 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -48.84 -28.07 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.16 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -74.98 -100.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.761 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 m -120.47 114.95 22.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.28 -3.21 21.24 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' B' ' 23' ' ' GLY . 10.3 tttt -94.96 0.49 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 110.402 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.94 75.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.45 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -67.27 -19.3 70.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' B' ' 25' ' ' LYS . 38.9 m-20 -108.24 161.31 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.367 -0.416 . . . . 0.0 110.038 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' B' ' 24' ' ' ASP . 32.1 mttm -19.84 128.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.698 0.624 . . . . 0.0 111.839 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.4 OUTLIER -100.07 117.37 34.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.35 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -140.18 151.61 45.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.34 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -135.58 129.33 32.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -69.08 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.32 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' B' ' 31' ' ' LYS . 17.1 pttp -50.62 -45.08 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' B' ' 30' ' ' LYS . 22.2 mtpp -59.1 -50.05 75.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE1' ' N ' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -48.27 -47.69 36.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.749 HD12 HG11 ' B' ' 69' ' ' VAL . 1.0 OUTLIER -73.02 -56.1 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HE2' HE22 ' B' ' 38' ' ' GLN . 79.0 tttt -49.93 -41.57 46.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.655 ' O ' HG23 ' B' ' 39' ' ' THR . 77.1 mm-40 -72.47 -32.79 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.337 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.519 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 6.5 tt -49.85 -57.3 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.652 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.444 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -68.64 -55.83 10.2 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.86 -179.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' B' ' 42' ' ' SER . 95.5 mt-30 -48.3 -48.64 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 35' ' ' GLU . 63.7 p -60.55 -29.99 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.685 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -82.29 -52.41 6.96 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.364 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.4 28.03 8.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.988 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.617 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.5 OUTLIER -48.05 -47.32 33.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.28 -35.06 38.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 46' ' ' ASP . 21.6 t80 -74.07 -56.93 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.992 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -49.9 -12.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.992 ' N ' HD23 ' B' ' 45' ' ' LEU . 13.5 t0 -57.73 -29.3 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.851 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.67 -27.35 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 51' ' ' ALA . 28.1 mt-30 -72.07 -22.08 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -44.07 -26.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 50' ' ' ASP . 67.8 t0 -64.82 -35.39 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.601 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.469 ' O ' HG13 ' B' ' 54' ' ' VAL . . . -88.12 123.39 32.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.83 -19.79 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.84 -27.62 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 55' ' ' ASP . 15.9 m -53.19 -43.11 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.552 ' N ' HG23 ' B' ' 54' ' ' VAL . 3.3 t70 -72.17 -29.68 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -50.29 -47.35 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -38.41 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.537 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -51.14 -27.86 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -55.75 -31.97 63.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.45 -63.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.685 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -66.03 -37.33 85.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.525 ' N ' HD12 ' B' ' 61' ' ' LEU . 43.3 t0 -53.27 -50.6 64.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.34 -30.98 20.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.487 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' B' ' 67' ' ' GLY . 63.1 m-20 -83.1 24.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.497 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' B' ' 64' ' ' ASP . . . -29.01 -46.36 0.07 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -110.83 -8.52 14.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' B' ' 64' ' ' ASP . . . -90.41 -175.03 44.81 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.228 -0.51 . . . . 0.0 111.909 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -136.8 -175.04 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.416 -0.392 . . . . 0.0 110.219 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 HD12 ' B' ' 33' ' ' LEU . 9.1 p -138.76 137.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 69' ' ' VAL . 51.4 t0 -35.34 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -176.6 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.132 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.688 ' O ' HG22 ' B' ' 75' ' ' VAL . 2.7 mp0 -50.71 -35.01 29.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.263 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -48.15 -22.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.724 0.297 . . . . 0.0 111.274 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -64.05 -26.17 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.548 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.759 HG23 ' N ' ' B' ' 76' ' ' VAL . 29.1 m -57.82 -60.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.374 -0.531 . . . . 0.0 111.518 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.759 ' N ' HG23 ' B' ' 75' ' ' VAL . 2.4 p -53.59 -38.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.574 0.226 . . . . 0.0 110.928 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.54 -38.27 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.34 -32.85 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.155 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -32.9 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.098 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.44 72.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.653 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.0 tt -77.01 -42.02 40.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.666 ' OG1' HD11 ' A' ' 12' ' ' ILE . 1.2 t -72.04 -47.8 49.05 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.181 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.56 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 8.5 p -53.08 -37.57 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.419 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -68.94 -39.74 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.253 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 9.6 t -73.6 -41.49 62.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -56.03 -36.6 68.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 3.2 m120 -60.92 -34.66 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.457 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -56.79 -51.02 70.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.409 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.94 -47.88 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.474 ' O ' ' O ' ' B' ' 87' ' ' ASN . 8.5 m95 -104.23 112.31 25.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.458 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -137.8 26.78 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -54.16 -32.68 56.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.575 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER 157.52 25.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.884 0.374 . . . . 0.0 110.406 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' B' ' 10' ' ' THR . 78.5 mm-40 -67.46 -25.65 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -74.36 -50.67 17.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.168 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -37.58 55.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -72.14 -34.47 68.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.75 -40.76 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -71.78 -40.47 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.676 HG21 ' HB2' ' B' ' 7' ' ' ALA . 18.0 m -54.38 -53.06 59.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 75' ' ' VAL . 32.7 mt -64.46 -39.13 93.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.55 -37.19 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.657 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.68 -53.77 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.68 -36.69 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.18 -57.14 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.646 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.92 -29.84 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -74.87 -100.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -120.4 115.08 22.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.18 -1.67 22.06 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -96.56 -10.16 27.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.274 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 80.75 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.186 0.517 . . . . 0.0 110.564 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.0 -15.5 81.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 25' ' ' LYS . 2.1 p30 -98.76 161.2 13.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.524 -0.338 . . . . 0.0 110.196 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 24' ' ' ASP . 60.2 mttp -20.25 124.98 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.696 0.622 . . . . 0.0 111.823 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.557 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 1.4 p90 -99.96 134.23 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.459 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -140.1 136.48 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.493 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -139.51 115.95 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.75 159.49 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -50.45 -35.58 29.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.658 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 62.3 mttp -51.7 -40.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.37 -48.64 19.21 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -65.04 -56.49 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.989 -179.124 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.84 -43.23 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.475 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 31' ' ' LYS . 68.7 mm-40 -72.15 -31.99 66.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 7.2 tt -48.93 -57.24 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -69.59 -55.35 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.321 -179.624 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.62 ' O ' ' N ' ' A' ' 42' ' ' SER . 24.2 mt-30 -48.43 -48.83 37.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 35' ' ' GLU . 43.1 p -61.47 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.612 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.11 -52.23 7.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.24 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.89 28.36 8.53 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.781 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.62 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -46.46 -51.36 15.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.47 -32.87 49.84 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.746 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' ASP . 30.6 t80 -72.69 -60.59 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.461 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.038 HD23 ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.43 -16.23 0.54 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.123 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 1.038 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.6 t70 -56.53 -30.29 62.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.065 0.459 . . . . 0.0 109.787 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.96 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.295 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 51' ' ' ALA . 89.5 mt-30 -83.96 -23.29 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.0 -29.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.37 -28.47 69.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.413 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . . . -93.05 131.58 37.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -71.23 -19.57 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.55 -32.24 27.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 55' ' ' ASP . 15.9 m -53.59 -47.35 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.624 ' N ' HG23 ' A' ' 54' ' ' VAL . 13.8 t0 -66.36 -29.19 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.746 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.44 -45.55 46.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' H ' HG13 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -75.05 -32.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.436 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.68 62.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.397 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -56.4 -30.86 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.264 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.9 -63.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 62' ' ' ASP . 2.4 pp -65.69 -38.15 88.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.498 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.561 ' N ' HD12 ' A' ' 61' ' ' LEU . 24.2 t70 -58.49 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 81.8 tt0 -39.96 -61.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.509 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 67' ' ' GLY . 84.2 m-20 -101.5 24.61 9.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.217 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -59.83 -22.34 62.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.788 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.584 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -90.65 -170.75 43.48 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.43 134.72 36.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.419 -0.391 . . . . 0.0 110.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 70' ' ' ASP . 13.7 p -105.16 157.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' OD1' ' CD1' ' A' ' 26' ' ' TYR . 20.6 t0 -47.83 -103.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.529 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 28.4 t80 -163.59 -58.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.739 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 75' ' ' VAL . 11.9 mp0 -50.9 -40.96 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -47.98 -22.6 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.161 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.755 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.72 -26.01 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.777 HG23 ' H ' ' A' ' 76' ' ' VAL . 28.6 m -50.29 -60.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.777 ' H ' HG23 ' A' ' 75' ' ' VAL . 1.6 p -55.12 -37.25 42.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.772 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.76 -37.61 52.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.16 -32.55 54.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . -65.06 -41.85 94.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.105 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.73 -44.51 58.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.108 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.2 tt -76.49 -31.71 57.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -55.41 -62.15 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 5.2 p -55.2 -39.51 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.57 -36.91 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -72.41 -41.03 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.71 -45.28 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 84.7 m-20 -62.05 -34.21 75.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -54.14 -43.35 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.06 -50.1 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 11.1 m95 -103.36 124.34 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.576 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -90.14 -24.06 21.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.478 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 93' ' ' SER . 4.5 p30 -51.9 -38.72 57.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 17.9 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' B' ' 1' ' ' GLY . 0.9 OUTLIER 157.52 25.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.321 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 78.5 mm-40 -67.5 -25.66 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.839 ' H ' HD22 ' B' ' 4' ' ' LEU . 1.6 mm? -74.34 -50.53 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.269 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -37.55 56.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.8 m -61.1 -42.46 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -72.14 -34.32 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.682 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt -56.89 -40.68 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.81 -40.52 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 7' ' ' ALA . 18.1 m -54.31 -53.08 58.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' B' ' 75' ' ' VAL . 32.6 mt -64.51 -39.04 93.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.59 -37.22 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.685 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -58.59 -53.86 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.68 -36.56 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.718 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.34 -57.07 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.07 91.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -75.06 -100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -120.47 115.14 22.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.15 -1.72 22.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -96.57 -10.14 27.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.31 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 80.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.124 0.488 . . . . 0.0 110.527 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.13 -15.39 81.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.984 -1.247 . . . . 0.0 109.984 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' B' ' 25' ' ' LYS . 2.1 p30 -98.86 161.19 13.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' B' ' 24' ' ' ASP . 60.2 mttp -20.29 125.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.73 0.644 . . . . 0.0 111.812 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.554 ' CD1' ' OD1' ' B' ' 70' ' ' ASP . 1.4 p90 -100.03 134.3 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -140.18 136.54 33.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -139.56 115.84 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -71.68 159.47 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -50.4 -35.65 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' B' ' 35' ' ' GLU . 62.3 mttp -51.65 -40.31 59.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.277 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.32 -48.74 19.0 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.436 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' B' ' 74' ' ' TYR . 0.5 OUTLIER -64.87 -56.59 12.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.993 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -52.83 -43.26 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.431 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 31' ' ' LYS . 68.6 mm-40 -72.14 -31.98 66.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.513 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 7.1 tt -48.97 -57.15 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.108 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.541 ' H ' HD12 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -69.55 -55.37 10.34 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.323 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' B' ' 42' ' ' SER . 24.3 mt-30 -48.47 -48.81 37.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 35' ' ' GLU . 43.4 p -61.48 -29.69 70.13 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.647 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE2' ' O ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -82.08 -52.27 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.234 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER -108.8 28.3 8.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.779 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.627 ' N ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -46.52 -51.22 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -32.91 49.69 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.792 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' B' ' 46' ' ' ASP . 30.1 t80 -72.84 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.442 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 1.043 HD23 ' N ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -51.27 -16.41 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.24 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 1.043 ' N ' HD23 ' B' ' 45' ' ' LEU . 2.6 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 109.799 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.47 -21.81 38.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.311 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' B' ' 51' ' ' ALA . 89.3 mt-30 -84.08 -23.28 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.662 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -43.95 -29.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.36 -28.45 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.426 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 48' ' ' GLN . . . -93.09 131.66 37.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.624 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.3 -19.48 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.67 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.22 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.737 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.629 HG23 ' N ' ' B' ' 55' ' ' ASP . 16.1 m -53.6 -47.37 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.629 ' N ' HG23 ' B' ' 54' ' ' VAL . 13.7 t0 -66.3 -29.18 69.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -49.51 -45.39 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.457 ' H ' HG13 ' B' ' 57' ' ' VAL . 0.6 OUTLIER -75.11 -32.9 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.38 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 mmt -57.17 -27.78 62.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.31 -30.93 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -66.91 -63.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 62' ' ' ASP . 2.4 pp -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.563 ' N ' HD12 ' B' ' 61' ' ' LEU . 24.3 t70 -58.49 -50.11 74.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -39.91 -61.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' B' ' 67' ' ' GLY . 84.1 m-20 -101.33 24.59 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -38.56 -51.14 2.42 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.591 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.0 p30 -59.92 -22.36 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.329 . . . . 0.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.591 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -90.59 -170.72 43.54 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.706 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.4 134.8 36.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.438 -0.381 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' B' ' 70' ' ' ASP . 13.6 p -105.28 157.56 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.608 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CD1' ' B' ' 26' ' ' TYR . 20.5 t0 -47.75 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.498 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 28.2 t80 -163.52 -58.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.689 ' O ' HG22 ' B' ' 75' ' ' VAL . 11.8 mp0 -50.87 -40.95 57.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.01 -22.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.696 0.284 . . . . 0.0 111.228 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.734 ' HB2' HD21 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -67.83 -25.98 65.83 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.758 HG23 ' H ' ' B' ' 76' ' ' VAL . 28.9 m -50.3 -60.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.897 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.758 ' H ' HG23 ' B' ' 75' ' ' VAL . 1.6 p -55.23 -37.17 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.738 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tp -51.68 -37.69 51.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.07 -32.62 54.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.588 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -65.08 -41.92 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.106 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -44.56 57.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.117 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.747 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.2 tt -76.44 -31.77 58.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -55.48 -62.02 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 5.2 p -55.26 -39.49 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.61 -36.94 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.4 -40.98 66.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -60.72 -45.26 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.477 ' O ' ' O ' ' B' ' 90' ' ' TRP . 84.7 m-20 -62.11 -34.19 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.66 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -54.16 -43.26 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -73.15 -50.06 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.477 ' O ' ' O ' ' B' ' 87' ' ' ASN . 11.1 m95 -103.25 124.27 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -90.0 -24.19 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 93' ' ' SER . 4.5 p30 -51.94 -38.67 57.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 18.0 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' BME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_