data_1ozo_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 1ozo _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 ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -170.02 0.24 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.466 1.907 . . . . 0.0 113.199 162.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.96 -57.72 10.5 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.416 1.462 . . . . 0.0 113.109 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.96 -47.83 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.401 1.096 . . . . 0.0 110.499 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.53 -29.41 70.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.353 -0.842 . . . . 0.0 113.199 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -41.62 41.56 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.462 2.305 . . . . 0.0 112.246 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.28 -50.83 68.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.706 0.684 . . . . 0.0 111.194 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 15.3 mtm -59.66 -38.39 81.34 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 170.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.42 -46.71 11.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 118.25 -1.306 . . . . 0.0 113.407 165.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mtt -76.27 -19.93 57.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.243 1.522 . . . . 0.0 114.132 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -80.81 -45.15 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 119.99 1.268 . . . . 0.0 110.076 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.34 -39.89 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.312 1.445 . . . . 0.0 109.916 162.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.22 -55.82 27.77 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.93 -1.509 . . . . 0.0 111.695 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -45.61 -52.89 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 120.594 1.543 . . . . 0.0 110.332 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.25 -42.68 73.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 m -71.45 -6.11 37.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.634 1.974 . . . . 0.0 114.35 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -91.27 -41.04 11.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.39 1.476 . . . . 0.0 111.075 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -97.31 -45.95 6.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.776 0.83 . . . . 0.0 113.219 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 p -66.15 -20.57 66.18 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.432 -1.417 . . . . 0.0 110.609 155.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 -12.4 4.25 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.615 2.055 . . . . 0.0 116.529 160.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.474 0.75 1 C-N-CA 132.333 4.253 . . . . 0.0 106.922 -163.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.26 109.42 13.58 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 152.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -65.58 156.82 31.53 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.707 149.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -43.35 -40.1 3.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.168 2.187 . . . . 0.0 112.923 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.67 -18.64 78.8 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 118.327 -1.263 . . . . 0.0 114.976 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -86.48 -55.59 3.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.154 1.477 . . . . 0.0 109.245 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 tt -35.74 -39.81 0.16 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.438 2.695 . . . . 0.0 114.246 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -58.52 -37.97 76.75 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.722 1.147 . . . . 0.0 111.526 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.68 -42.17 98.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 130.75 3.62 . . . . 0.0 111.917 165.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.1 mmm -62.57 -47.61 83.08 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -59.71 -16.5 27.54 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.168 1.387 . . . . 0.0 112.984 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -108.25 -57.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 127.711 2.404 . . . . 0.0 108.638 -170.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.0 -9.29 16.27 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -129.52 42.6 0.92 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 125.878 1.671 . . . . 0.0 114.688 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.94 144.48 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.878 2.386 . . . . 0.0 114.851 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.35 -37.22 3.3 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.766 1.174 . . . . 0.0 113.627 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -70.6 -6.82 39.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.529 1.164 . . . . 0.0 112.03 165.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.45 9.95 5.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.958 2.903 . . . . 0.0 114.041 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -53.09 -32.39 46.95 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.525 1.057 . . . . 0.0 112.915 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -95.79 -27.57 15.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.628 1.171 . . . . 0.0 113.824 163.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -31.24 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.234 1.397 . . . . 0.0 114.978 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 -57.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.03 2.132 . . . . 0.0 113.779 162.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -7.13 44.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.27 4.628 . . . . 0.0 120.013 -159.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 17.61 1.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.792 1.637 . . . . 0.0 113.521 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -116.7 -39.35 3.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 113.098 -169.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.64 -31.81 3.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.718 1.607 . . . . 0.0 112.773 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t -53.03 -34.68 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.308 0.504 . . . . 0.0 110.093 154.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.84 -26.43 68.33 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 126.154 1.782 . . . . 0.0 114.504 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -93.93 -32.82 13.72 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.202 1.365 . . . . 0.0 111.67 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.08 -5.7 19.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.98 0.912 . . . . 0.0 111.462 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tp -93.52 -73.34 0.57 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.3 1.84 . . . . 0.0 109.895 160.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.56 -34.93 3.61 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.293 3.037 . . . . 0.0 115.774 -169.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m-20 -56.29 -52.55 64.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.633 1.173 . . . . 0.0 112.525 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -43.98 11.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.68 1.992 . . . . 0.0 112.498 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -29.25 -33.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 132.183 4.193 . . . . 0.0 115.566 167.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.89 -27.77 8.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.971 1.709 . . . . 0.0 115.029 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -6.87 58.57 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.516 1.926 . . . . 0.0 111.714 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.26 -92.5 0.27 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.07 1.319 . . . . 0.0 112.237 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -159.64 -38.78 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 153.9 -8.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 131.629 3.972 . . . . 0.0 112.598 -165.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -103.64 94.0 5.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.676 1.591 . . . . 0.0 108.078 159.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.9 104.97 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 128.128 2.571 . . . . 0.0 111.496 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.7 165.65 6.27 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.112 1.765 . . . . 0.0 112.896 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -58.37 -32.96 69.06 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.033 0.933 . . . . 0.0 111.911 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -60.81 -55.14 36.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.329 1.452 . . . . 0.0 110.075 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.82 -48.83 77.1 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.868 1.267 . . . . 0.0 109.7 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.62 -60.2 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.754 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp -58.46 -41.26 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.132 1.333 . . . . 0.0 112.085 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.3 t -57.59 -49.24 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.506 1.122 . . . . 0.0 110.273 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 11.1 m-85 -80.98 -12.03 59.45 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.74 -35.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 121.865 2.121 . . . . 0.0 110.189 164.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.99 -2.0 22.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 165.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.55 -36.81 10.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.555 -1.341 . . . . 0.0 111.835 163.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.87 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 129.275 3.03 . . . . 0.0 110.865 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t -46.15 -54.18 9.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.191 0.997 . . . . 0.0 112.571 164.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 p -72.97 -7.55 51.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.809 1.644 . . . . 0.0 114.436 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.901 1.28 . . . . 0.0 109.017 168.813 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 35.0 ttm . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -152.36 -170.02 3.52 Favored 'General case' 0 CA--C 1.547 0.834 1 C-N-CA 131.859 4.064 . . . . 0.0 105.908 -174.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.05 -49.59 67.12 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 122.935 2.607 . . . . 0.0 111.373 165.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.33 -42.44 66.75 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.157 1.383 . . . . 0.0 111.893 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 83.3 mt-10 -88.52 -7.91 55.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -41.17 35.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 120.788 1.631 . . . . 0.0 109.241 163.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.37 67.37 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.837 161.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.443 ' HA ' ' CD1' ' B' ' 11' ' ' ILE 0.345 0.0 OUTLIER -56.88 -37.24 71.09 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.374 1.443 . . . . 0.0 112.922 171.483 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.61 -52.26 5.44 Favored Glycine 0 C--O 1.218 -0.892 0 C-N-CA 126.107 1.813 . . . . 0.0 111.889 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -33.9 47.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.614 1.707 . . . . 0.0 114.557 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' B' ' 8' ' ' MET 0.282 0.0 OUTLIER -67.24 -38.01 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.052 1.751 . . . . 0.0 112.948 171.386 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.1 mm -69.75 -31.18 47.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-O 117.189 -1.386 . . . . 0.0 109.77 165.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . 0.266 25.1 t70 -57.17 -45.4 83.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.973 1.715 . . . . 0.0 111.319 -171.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.2 t -45.05 -38.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.836 1.198 . . . . 0.0 112.831 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -80.5 -32.36 36.99 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.185 2.194 . . . . 0.0 113.83 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -9.1 50.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.419 2.688 . . . . 0.0 114.0 163.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -94.27 -62.18 1.38 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.283 1.433 . . . . 0.0 111.129 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.76 -72.89 0.24 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.542 0.671 0 C-N-CA 126.47 1.908 . . . . 0.0 113.435 163.708 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -69.19 103.3 1.89 Allowed 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 154.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -68.25 146.8 53.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 122.002 0.906 . . . . 0.0 109.159 149.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -41.31 -41.25 1.88 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.604 2.362 . . . . 0.0 113.95 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -22.99 77.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.546 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.43 -51.24 6.67 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.74 1.616 . . . . 0.0 109.921 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -40.28 -49.17 2.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.999 2.12 . . . . 0.0 112.483 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -55.69 -18.71 8.65 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -165.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.77 -12.6 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.386 1.474 . . . . 0.0 111.515 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 tp -76.52 -43.96 37.07 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 127.09 2.156 . . . . 0.0 111.657 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 6.2 mmm -67.02 -28.97 68.67 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.592 0.757 . . . . 0.0 111.713 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -56.74 -23.42 42.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.933 1.693 . . . . 0.0 112.972 169.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -108.42 -41.78 4.76 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 126.242 1.817 . . . . 0.0 110.116 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -120.3 -5.33 9.91 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.76 44.14 1.28 Allowed Pre-proline 0 CA--C 1.566 1.572 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 163.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -40.14 -21.38 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 1 C-N-CA 126.469 4.78 . . . . 0.0 119.338 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.83 -20.29 56.14 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 120.159 1.345 . . . . 0.0 114.659 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.18 -30.71 69.88 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.316 1.558 . . . . 0.0 111.408 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -0.94 2.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.813 1.645 . . . . 0.0 113.857 -171.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -53.88 -26.99 27.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.182 1.793 . . . . 0.0 113.029 157.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -90.72 -66.22 0.95 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.651 0.781 . . . . 0.0 109.907 161.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.99 -43.41 1.69 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 115.199 0.84 . . . . 0.0 115.199 166.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -75.01 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.824 0.85 . . . . 0.0 111.876 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 52' ' ' ASP . 8.3 m-20 65.88 0.34 1.53 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.193 2.197 . . . . 0.0 116.116 164.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER 42.59 -0.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.53 3.532 . . . . 0.0 117.081 -161.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 50' ' ' ASP . 0.8 OUTLIER -124.98 -1.07 7.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 128.792 2.837 . . . . 0.0 112.833 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.34 -43.56 2.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.138 0.975 . . . . 0.0 111.835 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -34.24 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.675 0.39 . . . . 0.0 110.547 157.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.38 -20.19 65.52 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 127.976 2.51 . . . . 0.0 114.788 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -35.54 10.36 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.773 1.17 . . . . 0.0 109.45 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -0.37 1.2 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.341 1.857 . . . . 0.0 112.726 156.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 tp -104.84 -67.27 0.92 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.316 2.246 . . . . 0.0 108.586 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.49 -28.25 0.88 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.357 2.663 . . . . 0.0 115.551 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.33 -20.23 63.87 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 172.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -29.81 2.33 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.551 2.34 . . . . 0.0 112.709 -172.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.84 -14.72 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 131.997 4.119 . . . . 0.0 115.044 156.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.38 -31.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.04 1.736 . . . . 0.0 113.289 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.42 -42.73 95.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.457 2.303 . . . . 0.0 116.109 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.66 29.96 0.18 Allowed Glycine 0 CA--C 1.536 1.344 0 N-CA-C 116.555 1.382 . . . . 0.0 116.555 -154.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 t0 52.73 -5.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 131.287 3.835 . . . . 0.0 119.176 166.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -177.35 -4.27 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.531 2.732 . . . . 0.0 112.9 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -115.15 96.85 5.88 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 123.139 1.447 . . . . 0.0 108.717 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 t -78.68 115.47 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 128.34 2.656 . . . . 0.0 109.765 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.2 169.73 17.66 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.235 1.379 . . . . 0.0 113.044 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -53.29 56.53 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.894 1.678 . . . . 0.0 111.645 -177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.8 p -65.18 3.28 0.64 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.286 2.234 . . . . 0.0 114.403 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -120.27 -50.99 2.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.331 2.252 . . . . 0.0 108.771 -170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -46.57 -47.73 19.72 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.362 0.665 . . . . 0.0 110.282 157.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.66 -34.04 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.89 -48.8 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.17 0.895 . . . . 0.0 109.711 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.28 -41.98 99.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.215 1.006 . . . . 0.0 111.779 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 76.5 t -53.35 -47.95 57.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.745 1.218 . . . . 0.0 109.875 170.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.51 2.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.62 -41.02 9.95 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.865 1.211 . . . . 0.0 111.005 153.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -58.45 -22.89 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.817 1.647 . . . . 0.0 112.495 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.4 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 14.8 t -50.58 -31.57 16.19 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.006 -1.684 . . . . 0.0 113.888 163.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -83.04 -1.56 53.02 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.258 1.023 . . . . 0.0 112.712 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 126.583 1.953 . . . . 0.0 111.944 167.465 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttm . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 p -153.76 -177.59 6.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 130.058 3.343 . . . . 0.0 106.28 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -56.7 -54.28 48.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.334 1.425 . . . . 0.0 111.238 171.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -52.2 -50.95 60.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.437 2.295 . . . . 0.0 111.415 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.92 -26.23 40.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.369 1.067 . . . . 0.0 113.794 -171.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -57.69 11.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.125 0.875 . . . . 0.0 109.783 167.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.84 62.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.978 0.911 . . . . 0.0 111.661 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.13 -30.35 71.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 173.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -22.32 31.54 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.461 -1.188 . . . . 0.0 113.392 164.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.8 mtp -85.93 -24.93 26.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.719 1.759 . . . . 0.0 113.712 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -93.21 -25.98 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 120.793 -1.192 . . . . 0.0 112.77 171.231 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mt -67.87 -30.18 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 116.721 -1.609 . . . . 0.0 111.059 155.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.76 -54.66 44.42 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.384 2.356 . . . . 0.0 110.197 165.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.27 -38.44 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 119.385 0.993 . . . . 0.0 112.519 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.98 -43.31 68.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.742 1.156 . . . . 0.0 114.046 168.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -61.37 -10.66 7.74 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.314 2.245 . . . . 0.0 113.499 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -112.18 -34.66 5.86 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 131.146 3.778 . . . . 0.0 111.592 -173.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.409 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 28.4 m-85 -109.62 -10.66 14.83 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -103.07 2.37 34.68 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.11 1.323 . . . . 0.0 111.689 148.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.38 26.9 62.42 Favored Glycine 0 CA--C 1.538 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 112.228 -166.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 128.008 2.523 . . . . 0.0 111.744 -163.731 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 117.784 -1.103 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.16 103.19 0.45 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.638 1.175 . . . . 0.0 110.845 162.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -70.43 165.25 22.93 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.984 -1.072 . . . . 0.0 111.524 158.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -55.38 -31.09 61.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.673 1.589 . . . . 0.0 113.309 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 -19.15 55.23 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.969 1.271 . . . . 0.0 115.091 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -85.33 -40.57 16.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.233 2.613 . . . . 0.0 109.293 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.71 -34.2 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.068 2.947 . . . . 0.0 115.175 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.75 -41.35 68.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -165.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.75 -11.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.914 1.286 . . . . 0.0 112.113 -174.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 4.3 tp -78.73 -34.39 45.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.205 3.002 . . . . 0.0 112.137 165.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.4 mmt -71.6 -53.53 13.42 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.166 0.894 . . . . 0.0 110.926 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -48.35 -35.85 13.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.395 1.478 . . . . 0.0 112.15 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -67.86 0.76 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 129.341 3.056 . . . . 0.0 112.406 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 -4.1 20.94 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -165.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.83 55.61 19.2 Favored Pre-proline 0 CA--C 1.557 1.245 0 C-N-CA 125.427 1.491 . . . . 0.0 114.321 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -39.43 154.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.334 3.356 . . . . 0.0 115.346 154.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.04 -56.86 4.62 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 124.102 0.858 . . . . 0.0 112.322 -176.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -55.76 -23.51 30.0 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.54 1.136 . . . . 0.0 112.36 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.03 -15.1 20.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.494 2.318 . . . . 0.0 114.8 170.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -60.16 -26.49 66.35 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.947 1.249 . . . . 0.0 112.539 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 m -101.69 -41.22 6.64 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.416 0.686 . . . . 0.0 110.968 162.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.59 -12.28 0.09 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 165.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.31 0.0 OUTLIER 172.12 -118.72 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 133.18 4.592 . . . . 0.0 107.403 170.06 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 55.5 m-20 49.47 33.29 5.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.641 1.977 . . . . 0.0 113.24 170.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP 0.316 0.0 OUTLIER 49.54 -6.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.791 3.636 . . . . 0.0 117.35 -167.117 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 66.3 m-20 -87.05 -22.54 25.39 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.087 1.312 . . . . 0.0 112.969 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.75 -174.59 4.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.532 1.133 . . . . 0.0 110.408 162.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.2 t 62.34 -61.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 126.618 1.967 . . . . 0.0 110.1 -162.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -55.42 -36.23 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.969 1.708 . . . . 0.0 113.511 165.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -89.75 -19.79 24.33 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.44 1.44 16.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.694 0.797 . . . . 0.0 111.344 164.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -110.26 -65.3 1.17 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 129.056 2.943 . . . . 0.0 109.201 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -27.68 24.52 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.972 2.109 . . . . 0.0 115.433 -172.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.33 -32.61 60.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.539 0.609 . . . . 0.0 111.816 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -39.2 10.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.678 1.591 . . . . 0.0 112.527 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -28.74 -35.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 132.698 4.399 . . . . 0.0 115.59 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -22.35 13.18 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.482 1.513 . . . . 0.0 114.982 171.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -11.53 53.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.84 1.656 . . . . 0.0 111.809 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.04 -74.33 0.01 OUTLIER Glycine 0 C--N 1.342 0.864 0 CA-C-N 120.685 1.584 . . . . 0.0 114.29 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.04 -62.94 0.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 144.47 -50.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.175 3.39 . . . . 0.0 107.832 -154.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.57 97.26 0.07 Allowed 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.454 -0.779 . . . . 0.0 109.358 153.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.97 101.97 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.683 1.993 . . . . 0.0 111.435 -165.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.47 162.65 4.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.908 1.683 . . . . 0.0 112.804 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.76 -33.68 68.75 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.283 -0.865 . . . . 0.0 113.073 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -63.79 -54.57 33.11 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.909 0.884 . . . . 0.0 110.545 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.62 -50.87 59.41 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.473 1.509 . . . . 0.0 110.214 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -57.81 -65.6 0.61 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.362 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.6 tp -58.58 -35.38 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 120.363 1.438 . . . . 0.0 112.98 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.0 -53.79 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.258 1.023 . . . . 0.0 111.086 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -79.94 -15.05 58.08 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 t -55.2 -51.41 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 120.465 1.484 . . . . 0.0 108.42 161.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.94 -15.18 41.3 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.53 -38.4 23.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.218 165.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.89 -47.93 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.055 1.742 . . . . 0.0 111.018 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -63.34 -22.84 67.12 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -82.61 -43.09 17.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.898 1.226 . . . . 0.0 111.105 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 125.463 1.505 . . . . 0.0 112.416 178.305 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 56.2 p -142.95 -102.74 0.13 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 109.792 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -131.61 -52.39 1.0 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.722 2.009 . . . . 0.0 107.788 156.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -46.55 -50.26 17.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.081 1.353 . . . . 0.0 111.633 162.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.59 -18.36 58.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.669 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -40.92 61.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.944 1.702 . . . . 0.0 111.154 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.27 94.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.763 1.225 . . . . 0.0 110.744 166.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.7 mtm -63.56 -28.79 70.18 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 -21.08 29.33 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 118.389 -1.229 . . . . 0.0 113.112 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 37.8 mtt -88.24 -36.95 16.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.64 1.72 . . . . 0.0 112.774 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -77.64 -25.33 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.84 -1.162 . . . . 0.0 113.054 170.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mm -72.11 -34.26 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.173 160.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.55 -50.05 68.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 121.588 1.995 . . . . 0.0 110.566 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.81 -52.27 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.346 0.975 . . . . 0.0 111.803 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.94 -47.81 70.89 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.712 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -64.35 -10.03 21.76 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.955 2.502 . . . . 0.0 114.919 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -93.09 -63.54 1.2 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.015 0.825 . . . . 0.0 109.065 165.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . 0.261 0.2 OUTLIER -78.52 -13.4 59.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 -166.492 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 C-N-CA 125.544 1.538 . . . . 0.0 111.581 157.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.95 114.49 27.15 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.672 -0.642 . . . . 0.0 110.66 158.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -62.14 147.65 46.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.9 0.857 . . . . 0.0 110.875 143.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -43.08 -34.61 1.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.716 2.806 . . . . 0.0 114.077 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.51 59.27 Favored Glycine 0 CA--C 1.533 1.201 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.212 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.52 -48.05 11.47 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.344 1.572 . . . . 0.0 109.635 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -49.26 1.11 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.653 2.381 . . . . 0.0 114.097 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -49.77 -42.79 47.42 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -169.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.44 -26.83 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.238 0.926 . . . . 0.0 113.32 -167.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.49 -39.34 58.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.738 1.215 . . . . 0.0 111.524 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 31.9 mmt -56.44 -31.74 64.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.23 1.012 . . . . 0.0 112.115 -169.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.82 -20.57 36.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.464 2.306 . . . . 0.0 114.187 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -113.84 -46.3 3.03 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.033 1.733 . . . . 0.0 111.074 -163.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -4.04 10.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' N ' ' CD ' ' B' ' 42' ' ' PRO . 21.4 mt -126.48 33.13 0.24 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 127.298 2.239 . . . . 0.0 114.85 167.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 41' ' ' LEU . 47.7 Cg_exo -42.27 -28.53 0.94 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.558 4.172 . . . . 0.0 119.473 -177.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.33 -34.18 84.49 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-N 120.475 1.488 . . . . 0.0 113.294 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -76.05 -11.65 59.98 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.945 0.872 . . . . 0.0 113.083 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 7.15 1.03 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -45.53 -31.52 1.84 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.384 1.074 . . . . 0.0 113.72 162.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -92.05 -31.79 15.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.03 1.732 . . . . 0.0 113.701 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.41 7.81 4.5 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.616 2.055 . . . . 0.0 116.894 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.362 0.0 OUTLIER 110.22 112.75 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.605 4.762 . . . . 0.0 111.501 -179.502 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -141.98 5.66 1.73 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.912 3.285 . . . . 0.0 111.526 -164.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' B' ' 51' ' ' LYS 0.402 0.0 OUTLIER 46.89 22.91 0.22 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 129.465 3.106 . . . . 0.0 115.076 -161.279 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.45 -27.93 1.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.103 1.761 . . . . 0.0 115.73 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 -40.77 5.68 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 121.691 2.042 . . . . 0.0 111.455 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.83 -29.58 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.513 0.725 . . . . 0.0 110.759 158.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.01 -25.8 56.06 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 126.253 1.821 . . . . 0.0 114.856 172.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -87.92 -39.88 14.4 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.358 1.89 . . . . 0.0 111.38 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -10.7 0.65 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.334 2.254 . . . . 0.0 111.861 160.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.53 -62.49 1.23 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.093 2.157 . . . . 0.0 111.318 161.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.42 -33.0 19.26 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.567 2.347 . . . . 0.0 115.332 -171.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.99 -8.32 48.08 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-N 119.508 1.049 . . . . 0.0 113.761 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.49 -34.17 0.64 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.46 1.904 . . . . 0.0 113.08 -170.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -37.04 -27.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 130.443 3.497 . . . . 0.0 114.145 153.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.82 -24.49 1.45 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.321 2.249 . . . . 0.0 114.644 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -73.16 -21.8 60.63 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 171.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.08 -77.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.846 1.212 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -178.53 -50.44 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.909 1.284 . . . . 0.0 113.229 -156.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 163.53 -1.2 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 130.875 3.67 . . . . 0.0 113.047 -160.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -114.92 101.19 8.79 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.182 1.393 . . . . 0.0 111.471 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 t -78.06 136.66 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.795 2.038 . . . . 0.0 112.453 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -111.19 168.28 9.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.821 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -58.31 -48.59 80.04 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.411 1.485 . . . . 0.0 111.387 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -66.15 -6.68 14.21 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 127.28 2.232 . . . . 0.0 113.345 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.85 -48.29 3.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.377 1.471 . . . . 0.0 109.757 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -51.54 -48.25 63.1 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.572 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 tp -57.68 -31.03 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.76 -47.62 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 110.602 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.15 -43.53 92.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.817 0.847 . . . . 0.0 112.001 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.34 -52.07 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.676 1.59 . . . . 0.0 109.96 169.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.67 17.98 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.56 -39.8 15.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.159 1.345 . . . . 0.0 111.587 162.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 14.4 mm -54.04 -44.78 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.657 1.183 . . . . 0.0 112.441 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -59.53 -7.67 1.55 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 35.2 m -106.75 -43.5 4.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.233 1.413 . . . . 0.0 111.212 165.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 125.179 1.392 . . . . 0.0 113.111 179.066 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.453 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.5 p -154.71 -173.86 4.74 Favored 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 133.533 4.733 . . . . 0.0 105.097 -174.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.417 ' CD ' HH22 ' B' ' 17' ' ' ARG . 28.8 tt0 -69.07 -43.09 75.3 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 124.743 3.429 . . . . 0.0 109.764 170.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -46.89 -59.4 3.11 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.734 1.213 . . . . 0.0 111.394 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 92.7 mt-10 -76.73 -29.0 56.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.524 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.5 64.52 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.809 1.64 . . . . 0.0 111.046 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.12 93.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.742 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.264 2.8 mtt -68.96 -28.64 66.81 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.272 1.396 . . . . 0.0 114.568 171.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.43 -47.83 7.02 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-O 117.818 -1.545 . . . . 0.0 111.853 155.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtp -66.12 -30.1 70.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.175 1.987 . . . . 0.0 114.92 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -25.04 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 121.315 1.87 . . . . 0.0 113.052 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mm -60.34 -35.21 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 118.724 0.693 . . . . 0.0 109.468 153.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 6.2 t0 -77.38 -17.14 58.45 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 120.177 -1.577 . . . . 0.0 113.153 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.1 -22.47 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 O-C-N 119.215 -2.178 . . . . 0.0 111.541 162.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -80.4 -29.7 37.73 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.525 -1.359 . . . . 0.0 111.391 165.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 46.7 t -62.75 -31.19 72.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.661 1.984 . . . . 0.0 112.894 164.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -63.73 1.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.696 1.134 . . . . 0.0 110.438 166.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 9.2 m-85 -98.22 -47.01 5.62 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -152.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -5.79 12.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.582 0.753 . . . . 0.0 112.763 158.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.84 4.92 56.08 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.088 1.327 . . . . 0.0 113.532 -172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.472 0.659 1 C-N-CA 132.797 4.439 . . . . 0.0 106.056 -163.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.59 114.06 28.03 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 128.013 2.525 . . . . 0.0 108.928 155.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -77.65 165.96 23.6 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.99 0.9 . . . . 0.0 111.589 159.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -55.35 -33.51 63.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.262 1.825 . . . . 0.0 113.518 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.43 -8.79 73.7 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.152 1.358 . . . . 0.0 115.123 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -101.0 -37.52 8.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.266 2.226 . . . . 0.0 109.664 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.86 -43.59 73.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.016 2.526 . . . . 0.0 113.177 165.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -45.82 87.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.301 1.41 . . . . 0.0 113.884 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.89 -16.12 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.34 1.456 . . . . 0.0 113.261 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 8.9 tp -77.32 -32.96 55.64 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.511 2.324 . . . . 0.0 112.404 165.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -89.47 -36.81 15.2 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.22 0.918 . . . . 0.0 112.385 -169.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -50.63 -27.36 6.75 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.774 1.63 . . . . 0.0 112.011 166.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -99.2 -61.39 1.37 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 128.962 2.905 . . . . 0.0 111.562 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.39 0.54 14.8 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.49 42.73 0.78 Allowed Pre-proline 0 CA--C 1.572 1.817 0 C-N-CA 126.0 1.72 . . . . 0.0 114.961 169.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -41.21 -32.44 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 125.545 4.163 . . . . 0.0 118.753 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -19.67 73.07 Favored Glycine 0 CA--C 1.534 1.268 0 O-C-N 120.958 -1.089 . . . . 0.0 114.358 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -89.14 -12.43 41.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.812 1.245 . . . . 0.0 111.751 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.64 5.59 45.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.863 1.665 . . . . 0.0 112.929 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.8 -18.78 65.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.47 0.708 . . . . 0.0 111.777 160.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -97.81 -80.74 0.44 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.135 1.374 . . . . 0.0 108.192 158.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.83 -15.1 60.01 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 116.969 -2.017 . . . . 0.0 117.588 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HD2' ' H ' ' A' ' 50' ' ' ASP 0.323 0.0 OUTLIER -153.01 -90.54 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.041 2.421 . . . . 0.0 112.208 173.158 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 3.9 m-20 60.39 3.98 0.63 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.328 2.651 . . . . 0.0 116.313 155.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.347 0.0 OUTLIER 40.12 32.11 0.11 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.353 2.261 . . . . 0.0 113.894 -154.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -134.73 -165.97 1.74 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 129.166 2.986 . . . . 0.0 107.691 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 46.04 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.863 2.465 . . . . 0.0 116.057 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -46.5 -45.35 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.998 1.719 . . . . 0.0 110.69 161.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.8 -22.62 65.17 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.987 1.315 . . . . 0.0 113.783 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.16 -38.78 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.628 1.103 . . . . 0.0 111.513 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.04 -7.36 2.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.161 1.385 . . . . 0.0 112.628 162.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.71 -78.77 0.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.609 1.963 . . . . 0.0 108.249 156.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -40.55 23.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -168.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.3 -33.67 76.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.354 1.062 . . . . 0.0 112.033 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -38.49 9.3 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.185 1.394 . . . . 0.0 112.169 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -4.95 0.76 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.819 1.248 . . . . 0.0 113.619 172.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.86 -24.77 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.033 -1.042 . . . . 0.0 113.338 159.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -80.28 -16.54 54.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 113.719 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.96 -98.41 0.68 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.924 1.725 . . . . 0.0 112.627 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -157.52 -81.9 0.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.571 1.148 . . . . 0.0 111.426 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.49 25.03 0.98 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.341 1.856 . . . . 0.0 112.723 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -139.36 109.74 6.56 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.048 1.339 . . . . 0.0 109.325 164.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.76 112.91 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.608 1.963 . . . . 0.0 112.873 -166.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.75 166.8 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.638 1.175 . . . . 0.0 113.117 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -60.83 -34.37 74.45 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.811 -1.181 . . . . 0.0 113.626 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -65.32 -52.67 52.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.233 1.013 . . . . 0.0 110.456 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.52 -51.17 60.86 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 129.211 3.004 . . . . 0.0 109.806 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -54.02 -67.4 0.26 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.9 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 tp -58.04 -37.16 59.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 120.595 1.543 . . . . 0.0 113.539 -169.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.16 -51.39 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.27 1.028 . . . . 0.0 110.779 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.2 -17.89 54.0 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -48.09 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 120.288 1.404 . . . . 0.0 108.471 163.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.33 28.78 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 167.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.17 -24.4 24.49 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.679 -1.263 . . . . 0.0 112.893 165.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.15 -42.29 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.235 1.814 . . . . 0.0 110.678 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -55.07 -42.14 72.39 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.483 -0.761 . . . . 0.0 111.277 163.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -64.78 -22.76 67.05 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.682 1.193 . . . . 0.0 112.614 172.834 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.272 0.082 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 26.9 p -153.43 -176.21 5.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.759 3.624 . . . . 0.0 107.477 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.19 -47.62 80.8 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 123.572 2.896 . . . . 0.0 109.743 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -59.37 5.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.06 1.744 . . . . 0.0 111.774 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 98.4 mt-10 -73.6 -29.98 62.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 118.326 -0.845 . . . . 0.0 113.242 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -39.82 66.42 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.579 1.536 . . . . 0.0 111.285 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.27 90.69 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.582 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtm -61.41 -32.33 72.28 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.11 -33.95 11.42 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.929 -1.484 . . . . 0.0 112.959 164.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 43.5 mtt -75.63 -32.85 60.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.946 1.873 . . . . 0.0 113.406 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -26.23 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 120.141 1.337 . . . . 0.0 113.194 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.96 -37.28 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.968 156.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.11 -44.1 93.29 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 120.321 1.419 . . . . 0.0 111.88 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -53.0 -31.32 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 121.302 1.865 . . . . 0.0 112.595 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 71' ' ' PHE . 46.7 t80 -82.08 -33.32 29.89 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.302 1.041 . . . . 0.0 113.646 170.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -83.45 1.19 42.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 128.311 2.645 . . . . 0.0 113.688 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.417 HH22 ' CD ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -70.5 -59.87 2.59 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.136 2.574 . . . . 0.0 108.669 156.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -87.62 -74.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.83 1.652 . . . . 0.0 111.259 -165.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.7 p . . . . . 0 N--CA 1.477 0.921 0 O-C-N 121.263 -0.898 . . . . 0.0 113.116 167.81 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.19 102.03 10.84 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.087 -1.008 . . . . 0.0 108.578 157.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -66.43 152.81 44.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.176 153.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -49.23 -34.29 14.64 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.892 1.677 . . . . 0.0 113.645 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.11 -25.08 64.82 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.552 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -84.67 -40.37 17.49 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.211 1.404 . . . . 0.0 110.193 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.12 -39.03 19.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.242 2.217 . . . . 0.0 113.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -62.55 -48.43 79.52 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -11.25 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.13 1.372 . . . . 0.0 113.796 -169.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.15 -41.58 41.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 129.569 3.148 . . . . 0.0 111.572 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.7 mmt -70.57 -35.51 73.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.045 0.938 . . . . 0.0 112.022 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.35 -33.29 28.83 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.395 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -97.6 -50.0 4.65 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.658 1.983 . . . . 0.0 110.047 -169.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -109.68 -6.81 15.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 113.803 -165.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.97 38.65 0.34 Allowed Pre-proline 0 CA--C 1.579 2.058 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -38.51 10.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.565 2 C-N-CA 129.449 6.766 . . . . 0.0 124.575 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.03 -7.68 2.52 Favored Glycine 0 N--CA 1.472 1.097 0 CA-C-N 121.771 2.078 . . . . 0.0 116.265 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -73.83 -10.84 60.08 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.217 1.509 . . . . 0.0 111.451 156.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.02 -6.99 37.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.797 2.439 . . . . 0.0 113.511 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -61.48 -22.84 65.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.373 1.069 . . . . 0.0 112.267 164.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t -104.55 -49.13 3.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.799 1.239 . . . . 0.0 111.019 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.26 -18.99 0.26 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 117.55 -1.694 . . . . 0.0 117.257 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -7.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.32 2.248 . . . . 0.0 115.686 169.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.22 47.77 1.47 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.39 1.45 . . . . 0.0 114.91 -151.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 -26.38 0.12 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.41 2.684 . . . . 0.0 114.224 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -82.1 -19.38 40.25 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.63 1.972 . . . . 0.0 113.585 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.01 -177.1 5.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.364 1.465 . . . . 0.0 111.03 166.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t 59.35 -61.38 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.1 2.16 . . . . 0.0 110.606 -156.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.96 -29.94 22.61 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.318 1.447 . . . . 0.0 113.05 166.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.01 -13.83 19.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.23 -3.79 53.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.651 0.78 . . . . 0.0 110.555 160.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -96.98 -74.01 0.58 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.52 2.328 . . . . 0.0 108.507 164.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -44.77 -35.33 2.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 128.425 2.69 . . . . 0.0 116.248 -169.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.87 -47.75 79.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.846 1.258 . . . . 0.0 113.101 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -41.21 9.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.762 2.025 . . . . 0.0 112.286 -173.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -37.5 -24.4 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 131.656 3.983 . . . . 0.0 114.857 165.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.64 -28.59 2.45 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.023 1.729 . . . . 0.0 114.785 164.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -18.82 41.63 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.405 1.082 . . . . 0.0 112.926 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.54 -96.96 0.81 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.74 1.638 . . . . 0.0 112.62 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -165.24 -42.15 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 157.18 -3.46 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 131.44 3.896 . . . . 0.0 113.592 -164.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -111.42 87.41 2.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.905 1.682 . . . . 0.0 108.406 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.62 102.97 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 127.689 2.395 . . . . 0.0 112.238 -169.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.08 165.56 10.95 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 125.202 1.401 . . . . 0.0 112.84 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.402 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 2.9 p90 -63.29 -27.45 69.34 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.893 -1.129 . . . . 0.0 113.444 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.0 p -60.15 -57.44 12.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.575 1.15 . . . . 0.0 110.777 172.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.66 -51.41 60.3 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.959 2.104 . . . . 0.0 109.847 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -54.62 -62.25 1.78 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.049 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.9 -38.98 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 119.606 1.094 . . . . 0.0 112.524 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 52.3 t -55.66 -49.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.745 1.218 . . . . 0.0 110.8 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -84.5 -15.47 45.8 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -57.46 -36.58 53.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 120.58 1.537 . . . . 0.0 109.482 160.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.58 9.73 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 167.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 -41.89 8.55 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.818 156.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.42 -31.33 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.154 1.382 . . . . 0.0 111.403 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -57.39 -22.51 43.28 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.7 p -86.07 -29.27 23.52 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.575 1.079 . . . . 0.0 111.985 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 113.137 168.684 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.0 ttm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -153.21 -170.09 3.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 128.836 2.854 . . . . 0.0 108.382 -165.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.19 -54.3 46.8 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 123.541 2.882 . . . . 0.0 109.021 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tt -51.87 -60.04 3.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.836 2.055 . . . . 0.0 111.259 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.63 -21.89 37.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.873 0.869 . . . . 0.0 112.84 -168.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -49.22 45.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.897 1.68 . . . . 0.0 110.005 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 91.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtt -75.54 -25.29 57.05 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.352 1.433 . . . . 0.0 114.697 169.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.11 -33.02 6.9 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 117.775 -1.57 . . . . 0.0 113.303 156.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.9 mtt -74.77 -17.59 60.61 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.613 2.206 . . . . 0.0 114.363 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -25.43 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.869 1.213 . . . . 0.0 113.363 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.17 -31.97 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 118.972 0.805 . . . . 0.0 109.316 153.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.54 -34.16 76.51 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 120.276 -1.515 . . . . 0.0 112.588 166.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.9 -53.66 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 121.632 2.015 . . . . 0.0 110.236 172.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -46.55 -47.61 19.61 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.229 0.331 . . . . 0.0 111.123 167.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 m -68.49 -16.78 64.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -67.89 -44.97 75.77 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.27 1.85 . . . . 0.0 109.057 162.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.76 -15.18 13.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -153.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.34 6.17 30.28 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.383 0.992 . . . . 0.0 111.456 148.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.65 51.42 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.014 1.292 . . . . 0.0 115.192 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 130.502 3.521 . . . . 0.0 107.875 -158.11 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 97.61 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.522 1.129 . . . . 0.0 110.725 161.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -72.23 165.23 24.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.291 -0.881 . . . . 0.0 111.584 162.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -57.78 -28.83 64.34 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.602 1.561 . . . . 0.0 113.765 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.27 -16.92 61.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.729 1.157 . . . . 0.0 115.265 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -93.52 -37.32 11.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.614 2.365 . . . . 0.0 110.209 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.27 -34.23 63.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 129.644 3.177 . . . . 0.0 114.521 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -74.64 -42.92 57.69 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -168.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.75 -18.01 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 124.835 1.254 . . . . 0.0 111.579 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.27 -28.56 63.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.547 2.739 . . . . 0.0 112.235 167.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -20.41 19.22 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.644 -1.285 . . . . 0.0 113.338 -169.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.58 -7.36 14.45 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.869 1.268 . . . . 0.0 112.849 167.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HZ2' ' CD ' ' A' ' 40' ' ' GLU . 18.7 tptp -138.22 -61.16 0.61 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.779 2.032 . . . . 0.0 109.657 -148.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' CD ' ' HZ2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -102.71 -11.65 18.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.51 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -130.7 42.37 0.89 Allowed Pre-proline 0 CA--C 1.558 1.256 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.66 142.82 48.96 Favored 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 121.512 1.576 . . . . 0.0 112.768 171.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 -34.26 5.88 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.861 1.696 . . . . 0.0 113.908 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.73 -17.2 64.48 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.743 -1.445 . . . . 0.0 111.272 162.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 4.88 3.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.449 2.3 . . . . 0.0 114.036 172.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -51.21 -25.86 6.13 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.237 0.926 . . . . 0.0 113.226 161.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -109.24 -60.99 1.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.85 1.66 . . . . 0.0 109.804 164.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -10.77 66.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.65 1.595 . . . . 0.0 115.092 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -170.04 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.196 1.498 . . . . 0.0 112.379 -170.62 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.56 ' H ' ' CG ' ' A' ' 49' ' ' LYS . 48.1 m-20 44.52 17.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 133.354 4.661 . . . . 0.0 117.064 176.288 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.322 0.1 OUTLIER 47.95 15.37 0.06 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 128.748 2.819 . . . . 0.0 115.683 -171.573 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -135.41 4.67 3.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.63 1.572 . . . . 0.0 113.759 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.22 -67.1 1.01 Allowed 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.074 1.306 . . . . 0.0 112.233 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.48 -35.47 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.336 0.654 . . . . 0.0 110.448 166.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.76 -20.16 65.19 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.461 1.505 . . . . 0.0 114.135 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -97.47 -39.96 8.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.089 1.313 . . . . 0.0 111.654 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.65 -3.08 0.43 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.273 1.029 . . . . 0.0 112.921 157.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -98.94 -68.99 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.975 2.11 . . . . 0.0 110.413 158.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.67 12.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.967 2.107 . . . . 0.0 116.292 -171.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.93 -34.29 64.28 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.133 1.333 . . . . 0.0 112.16 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.54 -39.57 10.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.644 1.578 . . . . 0.0 111.953 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -29.2 -38.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.306 3.843 . . . . 0.0 115.633 167.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.09 -21.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -18.44 28.95 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.711 1.204 . . . . 0.0 112.473 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.12 -71.62 0.02 OUTLIER Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.731 1.605 . . . . 0.0 114.015 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -150.19 -63.36 0.21 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 145.04 -51.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 130.04 3.336 . . . . 0.0 107.767 -154.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.58 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 150.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.32 107.31 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.909 2.084 . . . . 0.0 111.856 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.52 163.1 11.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.541 1.536 . . . . 0.0 112.817 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -56.65 -31.84 64.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.792 0.837 . . . . 0.0 112.763 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.7 -51.99 65.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.514 1.526 . . . . 0.0 110.58 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -47.14 87.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.808 1.643 . . . . 0.0 109.659 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.6 -64.82 0.77 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 117.636 -1.173 . . . . 0.0 110.81 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.75 -40.35 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.564 1.529 . . . . 0.0 112.982 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.2 -49.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.714 0.806 . . . . 0.0 111.771 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -87.55 -17.9 30.98 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.37 -48.5 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.41 1.459 . . . . 0.0 108.678 159.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.88 -12.17 60.13 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.76 -49.68 17.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.884 1.22 . . . . 0.0 109.986 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mm -47.45 -49.41 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.612 1.965 . . . . 0.0 113.119 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -49.5 -36.37 22.82 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -94.25 -39.35 10.57 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.393 0.542 . . . . 0.0 111.599 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 125.189 1.395 . . . . 0.0 113.448 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -133.13 -99.82 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.839 0.745 . . . . 0.0 111.532 -160.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -143.04 -55.83 0.41 Allowed 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 128.596 2.759 . . . . 0.0 105.793 168.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 tt -44.8 -60.14 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.742 1.617 . . . . 0.0 113.434 155.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.8 -31.98 70.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.317 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.06 73.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.991 1.269 . . . . 0.0 112.277 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.168 1.387 . . . . 0.0 111.054 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -62.22 -27.63 69.12 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.07 1.304 . . . . 0.0 114.081 171.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.08 -11.34 1.42 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 127.136 2.303 . . . . 0.0 113.911 164.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 71.0 mtp -102.49 -10.76 19.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.283 1.833 . . . . 0.0 112.718 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -13.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.946 1.248 . . . . 0.0 113.512 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -70.35 -6.07 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 118.658 0.663 . . . . 0.0 111.345 145.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -117.45 -26.74 6.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.894 1.678 . . . . 0.0 113.252 -174.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -26.97 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 119.618 -1.926 . . . . 0.0 110.851 147.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.19 -12.35 59.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.286 165.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 6.7 p -72.53 -91.16 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 115.22 -2.324 . . . . 0.0 107.397 165.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.29 -82.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 128.685 2.794 . . . . 0.0 112.811 162.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . 0.264 0.4 OUTLIER -40.38 -88.23 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.145 1 C-N-CA 137.719 6.407 . . . . 0.0 115.407 161.021 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.694 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 119.26 36.15 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.881 1.673 . . . . 0.0 111.322 167.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -66.49 155.88 36.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.242 151.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -46.67 -38.39 9.71 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.912 2.085 . . . . 0.0 112.572 169.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.58 89.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.267 1.413 . . . . 0.0 113.799 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -83.96 -44.61 14.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.055 1.428 . . . . 0.0 110.375 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -44.74 -43.04 8.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.699 1.6 . . . . 0.0 112.239 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -50.41 -39.45 47.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.33 -40.04 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 120.013 1.279 . . . . 0.0 112.83 -159.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.94 -35.55 69.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.52 0.728 . . . . 0.0 111.503 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt -56.36 -39.65 73.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.911 0.884 . . . . 0.0 112.254 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -56.96 -19.44 18.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.253 1.821 . . . . 0.0 114.111 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -114.22 -52.9 2.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.727 2.011 . . . . 0.0 109.159 -168.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.63 0.88 19.26 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.86 34.88 0.28 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 164.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.22 -20.05 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.736 3.624 . . . . 0.0 119.669 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.22 -49.47 52.46 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 120.195 1.361 . . . . 0.0 112.049 169.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.39 -30.93 70.86 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.369 -1.077 . . . . 0.0 111.851 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.33 -6.3 0.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -11.07 56.73 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.227 1.376 . . . . 0.0 112.143 162.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.38 -17.38 25.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.356 2.262 . . . . 0.0 112.439 164.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.53 -87.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.063 0 C-N-CA 128.043 2.735 . . . . 0.0 114.767 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.57 -68.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.716 2.406 . . . . 0.0 111.083 172.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.04 -43.24 0.16 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.157 2.583 . . . . 0.0 116.004 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER 139.24 -14.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 137.433 6.293 . . . . 0.0 112.429 175.57 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.91 -20.1 14.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.88 1.672 . . . . 0.0 113.609 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.23 169.81 9.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.017 0.826 . . . . 0.0 109.352 156.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.65 -46.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.306 1.842 . . . . 0.0 110.56 -159.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -44.98 -57.83 3.56 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 126.398 1.879 . . . . 0.0 112.325 154.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -0.77 19.24 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.58 -63.41 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 117.947 -1.025 . . . . 0.0 108.93 150.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -38.89 -65.12 0.39 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.153 1.381 . . . . 0.0 111.605 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -23.08 21.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.322 2.649 . . . . 0.0 115.126 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -53.26 7.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.755 0.822 . . . . 0.0 110.994 172.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.04 89.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.865 0.866 . . . . 0.0 111.56 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.64 -36.57 0.26 Allowed 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.346 4.258 . . . . 0.0 115.351 177.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.3 -16.72 3.67 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -16.96 27.82 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.003 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.43 -67.46 0.01 OUTLIER Glycine 0 N--CA 1.474 1.192 0 CA-C-N 121.445 1.929 . . . . 0.0 115.288 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -140.3 -62.96 0.49 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -172.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 137.85 -52.02 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 129.731 3.213 . . . . 0.0 108.022 -150.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -74.82 86.55 2.22 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 109.42 163.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 111.95 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.934 2.494 . . . . 0.0 113.45 -163.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.35 162.9 5.61 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.377 1.871 . . . . 0.0 112.763 166.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -37.82 64.53 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.009 0.923 . . . . 0.0 111.746 174.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 -45.97 91.36 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 110.998 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.74 -50.71 71.32 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.798 1.239 . . . . 0.0 110.147 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -61.11 -55.04 37.09 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.184 0.594 . . . . 0.0 111.438 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.16 -41.63 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.966 0.906 . . . . 0.0 112.372 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -53.96 -48.41 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.168 0.987 . . . . 0.0 111.187 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -79.76 -24.02 41.81 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.5 t -52.13 -36.14 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 120.596 1.544 . . . . 0.0 110.776 167.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.09 63.09 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 172.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.07 -48.45 16.04 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.256 0.935 . . . . 0.0 109.897 163.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.72 -46.05 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.803 2.041 . . . . 0.0 112.801 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -53.02 -28.82 26.14 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.164 0.986 . . . . 0.0 112.829 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.0 p -88.65 -41.52 12.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.701 0.8 . . . . 0.0 112.708 168.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 125.52 1.528 . . . . 0.0 113.227 -173.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 32.7 ttm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -155.85 -173.19 4.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 131.332 3.853 . . . . 0.0 106.652 -172.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CD ' HH22 ' B' ' 17' ' ' ARG . 77.2 tt0 -60.43 -52.92 63.18 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 122.689 2.495 . . . . 0.0 111.297 172.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.53 -52.17 49.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.577 1.551 . . . . 0.0 110.905 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 36.8 mt-10 -79.59 -13.67 59.36 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.18 63.64 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.067 1.758 . . . . 0.0 109.867 171.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.31 89.93 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.497 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mtm -62.52 -32.41 73.34 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.55 1.523 . . . . 0.0 113.93 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.68 -41.33 9.64 Favored Glycine 0 C--O 1.214 -1.103 0 CA-C-O 117.454 -1.748 . . . . 0.0 111.386 163.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.9 mtp -68.47 -31.68 71.15 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.232 2.016 . . . . 0.0 114.182 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.315 0.0 OUTLIER -91.21 -30.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.11 1.323 . . . . 0.0 113.75 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.83 -32.65 57.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 121.73 -0.606 . . . . 0.0 110.481 157.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.28 -40.57 70.82 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 120.557 -1.339 . . . . 0.0 111.619 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.68 -47.19 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.734 1.606 . . . . 0.0 110.989 165.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.48 -21.94 66.19 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -90.2 -7.08 54.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.764 1.626 . . . . 0.0 112.9 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -73.62 -55.85 5.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.908 1.283 . . . . 0.0 110.221 165.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -102.73 -52.36 3.1 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -159.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -10.02 31.32 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.012 0.823 . . . . 0.0 112.147 154.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 -9.06 10.18 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.811 1.672 . . . . 0.0 115.912 161.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.866 1 C-N-CA 131.998 4.119 . . . . 0.0 106.286 -157.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.8 p . . . . . 0 C--O 1.225 -0.223 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.62 116.03 21.17 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 150.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -73.61 163.34 28.14 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.596 -0.842 . . . . 0.0 111.316 152.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HE2' HD21 ' A' ' 58' ' ' LEU . 22.5 ttmt -55.77 -30.2 60.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.39 1.876 . . . . 0.0 113.16 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.4 -14.39 74.05 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.022 1.296 . . . . 0.0 114.987 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -102.44 -39.42 7.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 128.362 2.665 . . . . 0.0 109.879 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -26.97 25.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.285 2.234 . . . . 0.0 114.837 168.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -81.86 -48.22 11.82 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.035 1.289 . . . . 0.0 114.291 -165.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -15.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.903 1.681 . . . . 0.0 111.792 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.99 -68.45 0.39 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.299 2.24 . . . . 0.0 110.672 157.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . 0.345 8.2 ptm -53.74 -14.5 0.94 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 -168.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.43 -35.55 70.22 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 121.302 1.864 . . . . 0.0 113.311 165.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.99 -49.56 6.52 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 128.835 2.854 . . . . 0.0 111.197 -161.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -0.73 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.418 1.487 . . . . 0.0 113.925 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mt -122.79 31.88 0.2 Allowed Pre-proline 0 CA--C 1.566 1.581 0 C-N-CA 125.188 1.395 . . . . 0.0 114.168 160.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -54.41 132.56 51.59 Favored 'Trans proline' 0 C--N 1.362 1.268 0 CA-C-N 122.733 2.012 . . . . 0.0 113.038 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.2 -38.42 3.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.709 1.623 . . . . 0.0 112.209 -172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.441 1.12 . . . . 0.0 111.244 166.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.04 7.65 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 130.286 3.434 . . . . 0.0 114.136 171.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -47.57 -30.15 3.37 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.172 1.351 . . . . 0.0 113.759 166.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.7 m -91.09 -18.87 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.64 1.976 . . . . 0.0 114.814 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.23 -79.14 0.01 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.265 1.888 . . . . 0.0 112.81 -158.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.2 125.23 11.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.335 1.854 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -138.59 4.13 2.35 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.333 2.253 . . . . 0.0 112.326 -170.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 48.76 23.15 0.62 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 128.646 2.778 . . . . 0.0 115.56 -162.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.26 -6.18 1.4 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.5 -53.06 2.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.418 1.887 . . . . 0.0 110.69 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -44.11 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.038 0.935 . . . . 0.0 110.107 161.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.56 -18.83 62.91 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 125.46 1.504 . . . . 0.0 114.044 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -98.73 -23.78 15.29 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.218 1.372 . . . . 0.0 111.686 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.91 0.52 10.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.838 . . . . 0.0 111.543 156.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 30' ' ' LYS . 2.3 tp -102.38 -74.87 0.62 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.707 1.603 . . . . 0.0 110.214 162.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -42.84 3.28 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.613 3.165 . . . . 0.0 115.046 -170.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 m-20 -55.87 -48.62 75.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.028 1.331 . . . . 0.0 112.303 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.05 -46.41 10.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.82 1.648 . . . . 0.0 112.199 -177.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.05 -35.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 131.636 3.975 . . . . 0.0 114.828 169.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.96 -26.47 1.76 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.367 1.867 . . . . 0.0 115.345 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.53 -14.18 49.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.944 1.698 . . . . 0.0 112.014 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.82 -66.82 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 120.362 1.437 . . . . 0.0 114.95 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.09 -59.56 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.732 0.813 . . . . 0.0 112.764 -167.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.17 -51.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 130.292 3.437 . . . . 0.0 107.836 -155.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.67 97.2 0.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.379 0.609 . . . . 0.0 110.177 157.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.0 102.78 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 129.598 3.159 . . . . 0.0 111.361 -169.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.48 164.55 3.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.941 1.696 . . . . 0.0 112.704 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -56.78 -33.51 66.71 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 123.678 0.791 . . . . 0.0 112.043 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -62.42 -53.5 53.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.426 1.49 . . . . 0.0 110.528 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.14 -49.92 75.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.371 1.468 . . . . 0.0 109.518 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.48 -64.69 0.78 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.42 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.66 -37.49 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 120.158 1.345 . . . . 0.0 113.164 -173.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.64 -51.31 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 123.662 0.785 . . . . 0.0 110.957 172.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 6.7 m-85 -77.77 -20.79 52.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.08 -53.61 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 162.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.4 -7.31 6.27 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 171.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.58 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.127 1.331 . . . . 0.0 111.907 162.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.51 -47.37 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.998 2.119 . . . . 0.0 111.429 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -56.13 -9.6 0.67 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.6 p -109.3 -35.49 6.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.785 1.634 . . . . 0.0 112.153 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 125.803 1.641 . . . . 0.0 113.896 -176.581 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpp . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' THR . . . . . 0.512 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.8 p -134.16 -172.83 3.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.432 2.693 . . . . 0.0 108.632 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.58 -56.76 17.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.14 1.791 . . . . 0.0 111.294 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.44 -46.54 63.05 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.962 1.705 . . . . 0.0 112.344 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.512 ' HB2' ' H ' ' B' ' 2' ' ' THR . 57.0 mt-10 -78.46 -30.79 47.63 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.84 80.02 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 120.004 1.274 . . . . 0.0 110.626 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.84 69.83 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.241 0.616 . . . . 0.0 110.373 165.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mtm -60.89 -32.7 72.15 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.26 -34.97 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 118.619 -1.1 . . . . 0.0 112.438 164.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mtt -80.54 -37.19 31.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.164 1.482 . . . . 0.0 113.383 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -30.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.444 1.474 . . . . 0.0 112.463 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm -63.1 -42.1 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.759 161.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.93 -48.96 74.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.18 1.355 . . . . 0.0 113.124 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -33.51 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.161 1.346 . . . . 0.0 112.436 -176.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 53.4 t80 -72.87 -42.13 63.97 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.162 1.385 . . . . 0.0 113.61 167.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 17.1 t -71.65 1.42 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.426 1.891 . . . . 0.0 114.178 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.404 HH22 ' CD ' ' A' ' 3' ' ' GLU . 1.4 mtp180 -87.96 -57.64 2.86 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.165 1.786 . . . . 0.0 109.926 159.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.99 -45.25 28.01 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 0.0 112.814 162.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p . . . . . 0 C--O 1.233 0.223 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.11 109.46 20.52 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 153.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -67.82 157.01 35.79 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.722 148.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -45.85 -34.69 3.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.811 2.444 . . . . 0.0 113.501 171.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.65 -28.44 55.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.463 1.03 . . . . 0.0 114.76 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.45 -49.48 16.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.607 1.563 . . . . 0.0 108.899 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -47.43 -39.62 16.03 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.159 2.184 . . . . 0.0 113.34 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -60.74 -47.0 88.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.51 1.505 . . . . 0.0 114.546 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.64 -6.03 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.057 1.343 . . . . 0.0 112.133 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.45 -36.8 14.35 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.637 2.775 . . . . 0.0 111.624 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mmt -69.1 -25.82 64.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 111.675 -172.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.74 -25.8 55.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.646 1.178 . . . . 0.0 113.084 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -106.78 -48.67 3.46 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.669 1.988 . . . . 0.0 109.906 -167.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.15 -35.45 21.71 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.475 1.51 . . . . 0.0 114.232 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.74 40.87 0.65 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 126.577 1.951 . . . . 0.0 115.082 -165.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -34.94 127.41 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 123.062 2.508 . . . . 0.0 113.759 157.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.45 -40.38 2.46 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.858 1.218 . . . . 0.0 113.788 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -65.89 -22.51 66.52 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.881 1.84 . . . . 0.0 110.991 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -6.97 29.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.322 2.649 . . . . 0.0 113.526 171.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.12 -23.58 67.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.858 1.208 . . . . 0.0 111.613 166.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.3 t -96.25 -67.28 0.86 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.838 0.855 . . . . 0.0 109.958 155.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.36 3.62 66.51 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-O 117.05 -1.972 . . . . 0.0 115.563 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.486 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.253 0.0 OUTLIER 173.87 -108.85 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.342 2.657 . . . . 0.0 111.357 -176.339 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.486 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 9.6 m-20 49.86 18.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.385 2.674 . . . . 0.0 115.348 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.7 18.72 0.2 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.535 2.734 . . . . 0.0 116.116 -161.009 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.62 -10.42 7.34 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.442 1.897 . . . . 0.0 114.43 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.92 175.13 9.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.319 1.447 . . . . 0.0 109.697 160.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t 57.94 -64.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 126.274 1.83 . . . . 0.0 110.65 -160.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -48.26 -39.02 20.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.058 2.143 . . . . 0.0 113.465 167.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -92.72 -9.46 40.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.75 -1.08 57.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.924 0.489 . . . . 0.0 110.231 163.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tp -102.15 -71.42 0.72 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.593 2.357 . . . . 0.0 109.736 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.4 1.47 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.287 3.035 . . . . 0.0 115.668 -170.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -46.0 90.91 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.629 1.972 . . . . 0.0 113.008 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -25.97 13.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.81 2.444 . . . . 0.0 113.086 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.4 -22.01 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 131.499 3.92 . . . . 0.0 114.244 163.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.89 -24.7 0.15 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.04 2.136 . . . . 0.0 114.507 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -48.99 -40.74 31.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.756 2.422 . . . . 0.0 115.04 165.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.49 -72.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.58 0.61 . . . . 0.0 113.795 -165.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -160.25 -50.58 0.05 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -160.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 158.28 3.94 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 130.886 3.674 . . . . 0.0 113.323 -157.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -121.62 93.66 4.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.297 1.839 . . . . 0.0 109.611 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.53 122.81 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.774 2.43 . . . . 0.0 111.279 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.251 0.3 OUTLIER -87.11 169.98 11.91 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 120.057 1.299 . . . . 0.0 114.213 167.461 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.59 -36.56 67.02 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.223 1.809 . . . . 0.0 112.8 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.02 -11.02 55.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.844 2.058 . . . . 0.0 112.986 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -127.59 -45.79 1.47 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 126.977 2.111 . . . . 0.0 108.649 -158.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 60.7 t80 -40.04 -62.0 0.79 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.784 151.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.2 tp -57.61 -37.79 60.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.24 -47.78 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.998 0.817 . . . . 0.0 110.761 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -83.51 -22.33 32.5 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.3 -51.35 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.903 1.281 . . . . 0.0 108.912 159.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.16 -7.48 9.17 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.78 13.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.23 1.377 . . . . 0.0 111.686 161.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mm -51.26 -48.64 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.95 1.7 . . . . 0.0 110.809 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -53.95 -24.35 16.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.6 m -94.87 -34.53 12.41 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.118 0.967 . . . . 0.0 111.268 172.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 125.522 1.529 . . . . 0.0 114.701 179.266 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.084 0.469 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -150.4 -169.32 3.35 Favored 'General case' 0 N--CA 1.472 0.666 1 C-N-CA 132.834 4.454 . . . . 0.0 106.019 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.71 -52.93 63.02 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 122.251 2.296 . . . . 0.0 111.508 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.43 -54.96 18.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.958 1.703 . . . . 0.0 110.421 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.08 -23.94 51.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.53 68.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.464 1.484 . . . . 0.0 110.828 170.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.5 92.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.918 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -34.01 76.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.93 1.241 . . . . 0.0 114.287 168.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.0 -28.89 7.92 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.142 163.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 mtt -80.68 -27.22 37.15 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.023 1.912 . . . . 0.0 113.682 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.258 0.0 OUTLIER -90.68 -25.78 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 120.724 1.602 . . . . 0.0 112.877 172.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.56 -32.14 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.573 154.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.06 -31.28 70.81 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 121.111 1.778 . . . . 0.0 113.331 168.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.02 -31.23 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.253 1.842 . . . . 0.0 111.451 167.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.31 -10.68 59.0 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.899 1.28 . . . . 0.0 114.296 168.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.274 0.0 OUTLIER -94.55 -23.09 17.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.638 1.575 . . . . 0.0 113.884 171.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -64.08 0.97 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.214 1.806 . . . . 0.0 111.467 164.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.99 -67.15 0.86 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.769 0.828 . . . . 0.0 111.926 -168.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 4.34 1.33 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.618 1.967 . . . . 0.0 115.363 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.81 55.17 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.089 1.328 . . . . 0.0 115.857 170.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.22 -0.456 1 C-N-CA 132.298 4.239 . . . . 0.0 105.185 -173.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.18 77.47 1.28 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.559 1.171 . . . . 0.0 110.178 155.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -61.06 153.4 25.55 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.505 153.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -46.0 -33.25 3.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.965 2.106 . . . . 0.0 113.233 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.54 -26.02 52.18 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.599 1.095 . . . . 0.0 115.438 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -79.74 -51.71 8.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.295 1.838 . . . . 0.0 109.094 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.32 -36.16 41.35 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.564 2.745 . . . . 0.0 113.976 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -61.78 -47.8 83.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -171.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -67.82 -42.77 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.243 0.929 . . . . 0.0 110.113 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -45.49 -36.21 4.33 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.273 1.829 . . . . 0.0 112.391 168.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.39 -20.17 44.65 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.87 -13.14 61.33 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.643 1.11 . . . . 0.0 112.054 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -129.53 -43.97 1.25 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.012 2.525 . . . . 0.0 110.292 -150.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -126.66 -5.96 6.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.402 1.481 . . . . 0.0 113.903 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.36 37.23 0.36 Allowed Pre-proline 0 CA--C 1.559 1.32 0 CA-C-N 120.113 1.324 . . . . 0.0 114.467 167.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.69 146.65 75.76 Favored 'Trans proline' 0 C--N 1.357 1.024 0 CA-C-N 121.757 1.663 . . . . 0.0 111.857 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.63 -50.2 1.15 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.646 1.117 . . . . 0.0 111.997 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -60.15 -17.38 40.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.352 1.076 . . . . 0.0 111.688 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.61 -1.03 22.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.576 1.951 . . . . 0.0 114.727 173.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -22.85 63.99 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.615 1.098 . . . . 0.0 112.441 159.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -102.48 -44.08 5.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.549 1.94 . . . . 0.0 111.418 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.79 -34.37 0.28 Allowed Glycine 0 N--CA 1.476 1.325 0 C-N-CA 127.175 2.321 . . . . 0.0 118.615 156.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -163.41 -18.66 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.226 2.21 . . . . 0.0 113.795 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.12 52.41 2.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.614 1.197 . . . . 0.0 114.146 -144.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.67 -18.58 0.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.174 2.59 . . . . 0.0 113.996 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -91.26 -22.55 20.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 113.541 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.25 179.63 6.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.503 1.521 . . . . 0.0 111.456 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t 59.76 -64.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.006 2.122 . . . . 0.0 109.745 -156.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -48.61 -40.39 27.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.409 2.284 . . . . 0.0 113.011 169.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.41 -15.06 26.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.53 1.43 19.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.187 0.595 . . . . 0.0 111.059 162.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -111.95 -63.49 1.41 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.911 2.884 . . . . 0.0 109.807 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -26.34 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 0.0 115.861 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.5 -38.17 74.28 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.364 0.665 . . . . 0.0 111.939 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -38.19 10.42 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.893 1.677 . . . . 0.0 113.145 -172.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -23.1 -36.34 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 1 C-N-CA 132.272 4.229 . . . . 0.0 115.848 162.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.45 -25.46 36.57 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.869 2.067 . . . . 0.0 114.989 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.63 -9.99 54.84 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.899 1.68 . . . . 0.0 111.817 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.14 -70.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-N 120.296 1.407 . . . . 0.0 114.891 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -154.51 -59.15 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -171.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 143.41 -50.8 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.473 3.509 . . . . 0.0 107.4 -155.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.28 90.15 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.468 -0.77 . . . . 0.0 110.317 156.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.36 114.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.908 2.483 . . . . 0.0 112.83 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.27 174.24 10.9 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 127.338 2.255 . . . . 0.0 113.41 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -63.32 -36.78 84.82 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.519 -1.363 . . . . 0.0 113.3 -167.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 -46.65 72.4 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.524 0.73 . . . . 0.0 110.929 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.33 -49.71 73.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.375 1.07 . . . . 0.0 109.738 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -55.53 -67.95 0.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.202 1.001 . . . . 0.0 111.67 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -55.78 -40.45 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 119.714 1.143 . . . . 0.0 113.222 -169.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -57.76 -47.42 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 0.0 111.307 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.5 -16.39 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -51.96 -49.2 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 120.036 1.289 . . . . 0.0 108.718 160.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.5 -7.38 19.4 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.26 -33.75 17.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.584 1.084 . . . . 0.0 111.605 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -58.61 -45.92 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.487 1.494 . . . . 0.0 111.544 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -56.92 -17.93 11.44 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 m -102.98 -28.58 11.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.679 1.992 . . . . 0.0 111.83 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 O-C-N 119.98 -1.7 . . . . 0.0 111.934 166.362 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.032 -0.509 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 76.4 p -144.3 -92.94 0.11 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.218 1.407 . . . . 0.0 110.394 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -143.52 -56.04 0.39 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 128.398 2.679 . . . . 0.0 107.347 171.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -49.01 -55.92 10.52 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.299 1.839 . . . . 0.0 111.516 157.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -74.69 -17.89 60.6 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.454 -0.779 . . . . 0.0 112.938 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.52 70.51 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.333 1.424 . . . . 0.0 110.839 171.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.18 95.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.073 0.949 . . . . 0.0 110.773 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 75.1 mtm -62.0 -34.63 76.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 171.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.99 9.71 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-O 119.165 -0.797 . . . . 0.0 113.327 163.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mtp -80.83 -37.38 30.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.105 1.452 . . . . 0.0 113.006 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -33.8 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 120.75 1.614 . . . . 0.0 111.984 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mm -58.18 -33.6 47.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.785 0.834 . . . . 0.0 110.321 161.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.21 -36.99 64.01 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.385 -1.447 . . . . 0.0 114.58 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.64 -26.26 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.31 1.868 . . . . 0.0 110.642 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -66.13 -43.48 86.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.288 -0.882 . . . . 0.0 113.097 162.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -52.15 -29.53 22.46 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.464 1.506 . . . . 0.0 113.85 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -54.41 -23.82 17.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.725 1.61 . . . . 0.0 113.667 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -127.84 -70.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.084 1.353 . . . . 0.0 110.173 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . 0.273 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.307 32.9 p . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 119.152 -0.452 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.15 86.36 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.296 1.046 . . . . 0.0 109.142 153.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -66.53 154.02 41.45 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.093 -1.004 . . . . 0.0 109.208 150.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -51.89 -34.07 39.62 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 112.851 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -22.82 70.16 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.735 1.16 . . . . 0.0 114.795 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.31 -48.3 9.19 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.183 1.393 . . . . 0.0 109.707 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tt -47.25 -48.53 24.5 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 127.927 2.491 . . . . 0.0 113.85 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.58 -42.9 16.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -171.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.22 -25.03 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.511 1.124 . . . . 0.0 111.835 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -75.74 -38.85 58.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.103 1.361 . . . . 0.0 111.682 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmt -60.48 -33.37 72.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.233 1.013 . . . . 0.0 112.75 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.95 -30.41 24.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.128 1.771 . . . . 0.0 112.609 171.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -101.22 -43.39 6.0 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.409 1.884 . . . . 0.0 110.256 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -87.6 -35.33 18.14 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER -151.12 65.34 6.67 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.37 127.6 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.302 3.335 . . . . 0.0 113.725 153.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.78 -56.95 0.69 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.839 1.209 . . . . 0.0 111.186 -171.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -59.08 -23.75 62.32 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.121 0.96 . . . . 0.0 112.018 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.27 -9.67 34.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.507 2.323 . . . . 0.0 113.685 173.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -65.75 -27.93 68.67 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.748 1.158 . . . . 0.0 112.173 164.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -92.78 -49.87 5.85 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 110.557 164.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.59 -7.25 0.09 OUTLIER Glycine 0 CA--C 1.543 1.797 0 N-CA-C 118.402 2.121 . . . . 0.0 118.402 170.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.382 0.0 OUTLIER 118.93 105.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 134.241 5.017 . . . . 0.0 111.978 168.167 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.12 -1.68 7.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.109 2.164 . . . . 0.0 111.652 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 133.98 -29.35 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 1 C-N-CA 132.541 4.337 . . . . 0.0 111.185 -146.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.07 176.06 5.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.54 -67.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 1 C-N-CA 131.863 4.065 . . . . 0.0 116.553 163.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -53.17 -39.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.85 0.86 . . . . 0.0 108.886 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.58 -29.33 70.35 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 171.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -88.64 -45.77 9.58 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.267 1.394 . . . . 0.0 111.509 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -53.02 -12.75 0.36 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.145 1.778 . . . . 0.0 112.792 160.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -90.53 -68.84 0.76 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.223 1.009 . . . . 0.0 111.57 156.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HE2' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -52.05 -31.06 28.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.033 2.533 . . . . 0.0 115.474 -164.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.29 -50.02 50.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -34.67 26.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.819 1.648 . . . . 0.0 113.541 -175.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.416 ' OD2' ' HE2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -33.27 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 130.594 3.558 . . . . 0.0 114.846 167.591 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.56 65.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.564 1.946 . . . . 0.0 114.775 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -13.99 46.84 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.142 1.377 . . . . 0.0 111.272 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.26 -94.31 0.74 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.026 1.298 . . . . 0.0 112.193 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -150.51 -39.79 0.13 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.768 1.227 . . . . 0.0 112.673 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 173.22 -42.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 131.511 3.925 . . . . 0.0 109.147 -172.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.92 100.01 1.88 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.936 1.294 . . . . 0.0 109.986 171.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -75.29 108.91 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.149 2.179 . . . . 0.0 113.739 -171.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.25 171.62 14.22 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.789 2.036 . . . . 0.0 113.382 165.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -59.01 -35.54 73.44 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.01 1.324 . . . . 0.0 113.531 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -60.13 -53.69 54.77 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.319 0.963 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.47 -50.96 70.21 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.635 1.574 . . . . 0.0 109.615 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -55.57 -64.77 0.74 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.327 1.051 . . . . 0.0 112.164 175.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -58.54 -40.27 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 119.206 0.912 . . . . 0.0 112.367 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.48 -49.59 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.371 1.068 . . . . 0.0 111.298 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -85.01 -18.34 34.72 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -50.7 -47.51 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 119.951 1.25 . . . . 0.0 109.306 163.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -12.78 54.65 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.68 -36.83 21.63 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.797 1.18 . . . . 0.0 111.454 163.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -56.73 -44.67 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.278 1.431 . . . . 0.0 111.309 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -62.16 5.87 0.09 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.5 p -117.57 -39.55 3.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.144 1.778 . . . . 0.0 112.087 161.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 126.124 1.77 . . . . 0.0 114.16 -174.113 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 119.921 -0.085 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -154.32 -175.12 5.25 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.446 3.099 . . . . 0.0 108.668 -169.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.3 -46.37 79.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.94 1.7 . . . . 0.0 112.593 172.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -46.1 55.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.904 0.881 . . . . 0.0 111.325 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.28 -16.19 61.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.777 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.88 -28.87 27.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.422 1.464 . . . . 0.0 112.283 171.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.7 96.03 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.159 0.891 . . . . 0.0 109.932 164.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.462 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 49.9 mtm -63.02 -34.39 77.46 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.032 -1.042 . . . . 0.0 113.786 163.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.17 -47.33 5.42 Favored Glycine 0 C--O 1.213 -1.177 0 CA-C-O 116.585 -2.231 . . . . 0.0 111.228 161.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.3 mtp -70.08 -26.54 64.04 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.608 2.204 . . . . 0.0 114.868 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 mt -78.05 -47.86 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 120.891 -1.131 . . . . 0.0 109.666 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mm -54.09 -28.14 17.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.858 1.663 . . . . 0.0 110.319 162.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.9 -40.72 31.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.507 1.523 . . . . 0.0 111.745 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -37.8 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 122.107 2.23 . . . . 0.0 110.423 165.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.59 -14.1 61.54 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.696 1.198 . . . . 0.0 113.168 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -100.45 -8.16 23.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.483 1.913 . . . . 0.0 112.879 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -77.06 -64.04 1.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.746 2.018 . . . . 0.0 109.551 161.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -88.48 -67.1 0.85 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.089 0.956 . . . . 0.0 112.168 -160.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.51 -8.24 1.17 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 158.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.94 -4.11 8.53 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.466 1.508 . . . . 0.0 115.999 167.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.471 0.603 1 C-N-CA 133.736 4.814 . . . . 0.0 105.92 -170.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 119.922 3.305 . . . . 0.0 119.922 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.29 67.6 2.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.585 1.154 . . . . 0.0 110.067 167.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 146.9 7.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 145.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -35.09 -40.3 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.97 2.508 . . . . 0.0 113.544 171.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 -27.25 55.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.635 1.112 . . . . 0.0 115.546 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.94 -55.26 5.62 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.123 1.461 . . . . 0.0 108.711 168.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -41.62 -42.15 2.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 129.272 3.029 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -59.13 -35.48 73.54 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.84 -14.91 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.684 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -81.69 -24.44 36.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.639 2.376 . . . . 0.0 112.042 166.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 39' ' ' LYS . 34.8 mmm -79.13 -52.72 7.81 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.919 -1.113 . . . . 0.0 112.945 -164.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.33 3.13 0.2 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.306 2.242 . . . . 0.0 113.996 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' A' ' 37' ' ' MET . 21.1 tptt -142.73 -52.02 0.38 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 128.81 2.844 . . . . 0.0 109.169 -146.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -123.52 -0.33 8.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.8 28.38 0.16 Allowed Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 167.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -34.18 -14.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.36 2 C-N-CA 127.523 5.482 . . . . 0.0 123.05 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.41 52.38 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 121.472 1.942 . . . . 0.0 115.195 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.91 -5.85 58.35 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.055 1.427 . . . . 0.0 111.769 169.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.1 3.67 29.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.649 2.379 . . . . 0.0 111.478 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.4 -26.29 67.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.43 2.292 . . . . 0.0 111.603 165.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -89.55 -30.28 18.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.801 0.84 . . . . 0.0 112.038 158.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.06 4.33 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 125.984 1.754 . . . . 0.0 113.532 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -162.51 -75.54 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.284 2.233 . . . . 0.0 108.998 149.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 30.0 t70 15.09 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.7 3.2 . . . . 0.0 113.983 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 -10.91 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -172.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 50' ' ' ASP . 79.0 m-20 -106.26 2.28 26.64 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.48 2.312 . . . . 0.0 112.657 -171.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.9 -168.42 3.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.006 1.722 . . . . 0.0 109.193 143.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.0 t 62.99 -63.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.02 2.128 . . . . 0.0 109.824 -162.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.28 -34.92 11.17 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.186 2.194 . . . . 0.0 112.618 164.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -94.74 -11.15 29.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.81 5.8 46.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.023 0.929 . . . . 0.0 110.672 163.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -108.35 -70.25 0.81 Allowed 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.128 2.971 . . . . 0.0 107.398 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -34.44 4.05 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.799 2.44 . . . . 0.0 115.956 -172.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -49.94 74.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.477 1.511 . . . . 0.0 112.319 173.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -34.91 13.46 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.437 1.895 . . . . 0.0 113.391 -171.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.36 -24.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 1 C-N-CA 133.074 4.549 . . . . 0.0 115.644 166.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.31 70.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.247 1.819 . . . . 0.0 115.054 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -18.45 48.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.189 0.996 . . . . 0.0 111.346 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.38 -88.87 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 125.395 1.474 . . . . 0.0 112.252 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -154.46 -40.39 0.09 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 168.83 -36.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 131.161 3.784 . . . . 0.0 109.524 -173.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.95 76.68 2.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.128 0.971 . . . . 0.0 110.993 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -45.98 103.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 128.035 2.534 . . . . 0.0 112.364 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.63 167.09 17.66 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.952 2.501 . . . . 0.0 112.582 163.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -56.89 -36.74 70.47 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.023 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -49.54 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.526 1.13 . . . . 0.0 111.131 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.38 -47.48 85.61 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.371 0.668 . . . . 0.0 109.362 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -59.77 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.643 1.177 . . . . 0.0 112.455 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.2 tp -51.32 -43.42 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.01 -50.25 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.979 1.312 . . . . 0.0 111.154 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -81.01 -18.75 45.75 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -58.52 -47.35 88.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 119.732 1.151 . . . . 0.0 107.996 164.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.95 1.32 0.94 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 168.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.81 -39.96 9.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.872 1.214 . . . . 0.0 111.308 156.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -54.72 -36.34 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.732 2.413 . . . . 0.0 111.952 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.509 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.1 t -43.3 -53.8 5.0 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.234 1.379 . . . . 0.0 111.444 169.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 m -74.37 -57.07 4.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 0.0 111.246 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -170.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 9.9 p -146.16 -179.79 6.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.005 2.122 . . . . 0.0 110.245 -169.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -53.66 -51.77 62.09 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 121.486 1.948 . . . . 0.0 112.156 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.88 -38.24 64.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 2' ' ' THR . 98.8 mt-10 -76.24 -37.71 57.3 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.216 -0.927 . . . . 0.0 112.945 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.88 77.88 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.971 0.909 . . . . 0.0 110.161 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.42 64.9 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.178 0.591 . . . . 0.0 110.969 164.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.509 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 6.7 mtm -63.09 -37.0 85.47 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.71 -52.53 6.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 160.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mtt -61.52 -49.02 78.39 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 115.123 -2.37 . . . . 0.0 113.908 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -68.82 -34.51 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 124.849 3.477 . . . . 0.0 113.398 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mm -56.71 -44.31 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.313 0.96 . . . . 0.0 109.303 164.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . 0.458 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 15.1 t70 -82.04 -3.18 54.0 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.67 -21.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 126.193 1.797 . . . . 0.0 109.782 165.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' CG ' ' B' ' 74' ' ' PHE . 62.4 t80 -84.91 -43.15 14.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.404 1.081 . . . . 0.0 112.158 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 17.0 t -29.64 -55.91 0.16 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 129.752 3.221 . . . . 0.0 114.12 168.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -33.62 -46.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.656 1 C-N-CA 132.001 4.121 . . . . 0.0 114.541 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -107.78 -54.76 2.45 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.535 1.134 . . . . 0.0 109.624 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 178.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 119.852 3.279 . . . . 0.0 119.852 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.401 HD12 ' CE1' ' B' ' 15' ' ' PHE . 9.9 mp -67.77 77.81 0.2 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 122.78 1.276 . . . . 0.0 107.968 156.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -55.25 144.47 24.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 139.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -45.85 -28.45 1.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.186 2.594 . . . . 0.0 113.834 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.36 -25.71 46.52 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.51 1.052 . . . . 0.0 115.008 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.24 -50.92 10.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.096 1.448 . . . . 0.0 109.602 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 tt -43.6 -35.8 1.88 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 128.005 2.522 . . . . 0.0 114.504 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -66.26 -41.26 90.17 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.46 -37.26 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.202 0.91 . . . . 0.0 110.295 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -51.25 -28.33 11.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.763 2.025 . . . . 0.0 112.06 165.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -22.9 23.52 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.842 -1.786 . . . . 0.0 113.955 -170.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.29 -10.57 52.13 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 112.41 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 -52.87 1.02 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.787 2.435 . . . . 0.0 109.515 -149.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -106.32 -16.49 14.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.424 1.889 . . . . 0.0 112.637 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.68 44.27 1.28 Allowed Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.77 144.24 35.48 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 121.965 1.738 . . . . 0.0 113.806 170.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.03 -21.28 28.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.247 1.403 . . . . 0.0 114.486 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.27 -15.08 60.54 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.764 1.226 . . . . 0.0 110.103 163.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -1.31 42.43 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.106 2.563 . . . . 0.0 114.168 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -27.25 65.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.985 0.514 . . . . 0.0 111.384 160.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -99.64 -53.9 3.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.249 1.419 . . . . 0.0 111.625 165.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.81 6.17 6.26 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 117.842 1.897 . . . . 0.0 117.842 168.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.439 0.0 OUTLIER 111.05 92.52 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 1 C-N-CA 133.937 4.895 . . . . 0.0 110.854 -179.074 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -136.7 12.11 3.17 Favored 'General case' 0 CA--C 1.548 0.88 1 C-N-CA 132.402 4.281 . . . . 0.0 109.245 -177.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 69.14 0.37 2.79 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.164 2.585 . . . . 0.0 114.045 -166.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -115.13 -8.22 12.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.71 1.604 . . . . 0.0 114.267 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.86 -176.93 4.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.346 1.458 . . . . 0.0 112.003 154.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t 59.2 -62.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 127.313 2.245 . . . . 0.0 109.529 -155.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.1 -27.19 13.19 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 113.501 167.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -102.82 -3.0 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.57 -0.99 56.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.654 0.782 . . . . 0.0 109.478 159.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.08 -78.31 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.818 2.847 . . . . 0.0 108.219 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -41.44 -42.89 2.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.865 3.266 . . . . 0.0 115.537 -169.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' B' ' 77' ' ' PHE . 0.8 OUTLIER -45.85 -55.82 6.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.698 1.999 . . . . 0.0 112.874 169.578 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.75 -38.61 10.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.161 2.185 . . . . 0.0 112.98 -173.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -37.28 -22.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 131.392 3.877 . . . . 0.0 114.749 162.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.25 -32.48 0.18 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.545 1.538 . . . . 0.0 114.829 158.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -97.5 -12.79 22.21 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.263 1.425 . . . . 0.0 113.402 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.81 20.61 1.0 Allowed Glycine 0 CA--C 1.539 1.566 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -164.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 69.93 -40.47 0.46 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 129.961 3.304 . . . . 0.0 116.199 169.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 167.21 6.2 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 130.794 3.638 . . . . 0.0 113.405 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -128.56 90.47 3.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.858 1.263 . . . . 0.0 109.725 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.64 129.67 35.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 125.9 1.68 . . . . 0.0 112.821 -170.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.95 169.95 10.04 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.722 2.809 . . . . 0.0 112.556 170.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -64.8 -27.42 68.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.36 1.064 . . . . 0.0 113.556 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 65.2 p -62.58 -61.96 2.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.362 0.983 . . . . 0.0 110.647 170.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.07 -50.98 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.661 1.985 . . . . 0.0 110.911 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.405 ' CG ' ' CD1' ' B' ' 15' ' ' PHE . 38.7 t80 -58.45 -61.35 2.65 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 116.832 -1.556 . . . . 0.0 111.756 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.86 -35.53 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 121.718 2.054 . . . . 0.0 113.198 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -57.32 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.22 1.008 . . . . 0.0 110.308 171.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' B' ' 60' ' ' ASP . 14.4 m-85 -80.36 -16.47 54.46 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.79 -48.53 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 125.219 1.408 . . . . 0.0 108.541 158.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.2 2.58 4.46 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.95 -38.14 9.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 111.491 156.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -40.18 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.711 2.404 . . . . 0.0 110.563 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.462 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.2 t -48.75 -43.88 38.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 166.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 39.5 p -71.95 -38.25 69.82 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.506 -0.746 . . . . 0.0 111.159 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 175.477 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p -156.78 -174.16 4.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.063 2.945 . . . . 0.0 108.756 -162.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -56.61 -51.71 67.62 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 122.15 2.25 . . . . 0.0 111.497 168.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.36 -56.78 15.1 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.395 1.878 . . . . 0.0 110.889 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.17 -23.99 51.52 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.3 -39.47 65.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.375 1.443 . . . . 0.0 111.029 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.0 88.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.653 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtm -64.81 -29.66 70.63 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.04 -33.06 20.94 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 117.764 -1.576 . . . . 0.0 112.815 161.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.7 mtt -75.68 -39.08 58.11 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.131 1.965 . . . . 0.0 112.823 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.256 0.0 OUTLIER -82.48 -29.97 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.745 1.157 . . . . 0.0 113.726 177.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.66 -31.5 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 117.161 -1.4 . . . . 0.0 110.894 162.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.58 -58.16 9.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 121.554 1.979 . . . . 0.0 110.307 165.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -45.42 -41.58 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.974 1.261 . . . . 0.0 111.914 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -67.02 -54.89 17.36 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 168.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -59.28 0.47 0.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.977 2.511 . . . . 0.0 114.555 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -114.66 -43.71 3.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 131.583 3.953 . . . . 0.0 111.051 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.28 -42.41 10.4 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 p -64.68 -30.91 71.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.03 -1.044 . . . . 0.0 111.205 157.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.97 0.75 76.9 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-O 117.907 -1.496 . . . . 0.0 114.799 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.491 1.58 1 C-N-CA 132.002 4.121 . . . . 0.0 112.213 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 117.361 2.356 . . . . 0.0 117.361 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.43 73.59 0.73 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 166.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.2 147.07 8.12 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 144.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -35.53 -37.3 0.09 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.536 2.735 . . . . 0.0 113.675 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.57 -27.04 48.93 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.541 1.067 . . . . 0.0 115.517 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.8 -52.49 8.27 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.325 1.45 . . . . 0.0 109.265 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tt -44.64 -35.13 2.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.094 2.958 . . . . 0.0 114.347 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -66.14 -41.85 89.89 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -47.88 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 119.933 1.242 . . . . 0.0 109.977 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.37 -30.32 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 113.815 161.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.07 -18.32 23.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 120.22 1.373 . . . . 0.0 113.921 -176.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.42 -31.73 72.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.09 1.314 . . . . 0.0 110.084 165.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.76 -64.11 1.19 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 129.697 3.199 . . . . 0.0 112.802 -170.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.74 -11.19 14.0 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.79 1.636 . . . . 0.0 112.069 -164.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.22 36.14 0.3 Allowed Pre-proline 0 CA--C 1.561 1.368 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 166.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.91 145.53 73.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 CA-C-N 122.544 1.944 . . . . 0.0 112.409 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.55 -37.64 3.36 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.661 1.124 . . . . 0.0 112.686 -170.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.57 -21.64 64.48 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.124 1.462 . . . . 0.0 111.287 168.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.09 1.21 21.84 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.241 2.216 . . . . 0.0 114.868 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -58.85 -29.46 66.97 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.172 0.897 . . . . 0.0 111.258 157.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -93.38 -65.73 0.97 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.699 1.199 . . . . 0.0 109.321 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.27 -13.63 19.96 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 162.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.271 0.0 OUTLIER -177.14 -84.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.04 2.136 . . . . 0.0 109.938 169.778 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 2.8 p30 50.11 2.88 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 128.585 2.754 . . . . 0.0 117.89 166.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.351 0.0 OUTLIER 72.54 -8.42 1.22 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.804 3.242 . . . . 0.0 114.446 -170.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -124.55 14.95 8.83 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.206 1.366 . . . . 0.0 114.315 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.25 173.93 11.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.358 1.063 . . . . 0.0 110.671 153.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t 61.28 -64.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.597 1.559 . . . . 0.0 110.447 -164.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -39.31 -37.48 0.44 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 129.194 2.997 . . . . 0.0 113.691 158.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -98.91 -8.7 25.2 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.17 3.89 44.62 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.728 0.811 . . . . 0.0 110.012 162.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -111.55 -66.56 1.07 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 130.343 3.457 . . . . 0.0 108.7 172.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -32.68 21.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.026 2.131 . . . . 0.0 115.305 -171.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -50.81 72.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.67 1.988 . . . . 0.0 111.426 172.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.49 -37.46 13.14 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.268 1.827 . . . . 0.0 113.322 -170.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -27.57 -35.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 1 C-N-CA 131.745 4.018 . . . . 0.0 115.004 168.048 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.85 34.16 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.856 1.662 . . . . 0.0 115.114 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -6.31 59.12 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.038 1.735 . . . . 0.0 111.285 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.96 -86.62 0.13 Allowed Glycine 0 C--N 1.342 0.888 0 CA-C-N 119.938 1.245 . . . . 0.0 112.514 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -154.7 -42.63 0.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.536 1.134 . . . . 0.0 113.204 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 162.47 -30.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 130.95 3.7 . . . . 0.0 111.167 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.03 93.74 9.44 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 120.926 -1.109 . . . . 0.0 109.612 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 111.57 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.425 1.89 . . . . 0.0 113.492 -170.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.03 168.61 16.71 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 128.919 2.888 . . . . 0.0 113.284 165.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -60.05 -34.95 74.1 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -65.87 -55.16 18.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.395 1.078 . . . . 0.0 110.654 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.14 -49.86 62.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.827 1.251 . . . . 0.0 110.344 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -57.19 -68.38 0.23 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.87 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -53.74 -42.84 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 121.129 1.786 . . . . 0.0 113.2 -172.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -54.73 -52.74 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.321 1.048 . . . . 0.0 110.508 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.58 -13.5 56.44 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.1 t -58.68 -50.56 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 121.219 1.827 . . . . 0.0 107.293 165.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -11.76 8.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.89 -43.19 13.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.565 1.075 . . . . 0.0 111.646 161.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -50.42 -45.34 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 129.329 3.051 . . . . 0.0 112.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 t -46.06 -51.53 13.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.748 0.703 . . . . 0.0 112.039 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -70.74 -51.85 24.64 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.258 1.423 . . . . 0.0 112.022 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 126.78 2.032 . . . . 0.0 114.341 -177.271 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.179 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -140.7 -106.14 0.15 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.822 1.249 . . . . 0.0 110.573 -164.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -127.17 -50.25 1.43 Allowed 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 107.281 158.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -50.14 -55.34 15.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.126 1.37 . . . . 0.0 112.262 164.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 60.2 mt-10 -72.43 -29.96 64.18 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.46 -0.775 . . . . 0.0 112.198 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -38.83 66.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.064 0.847 . . . . 0.0 111.668 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -44.68 76.9 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 124.618 1.167 . . . . 0.0 110.139 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtm -63.06 -31.8 73.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.68 -53.73 3.59 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-O 118.096 -1.391 . . . . 0.0 110.956 157.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mtt -66.14 -39.5 89.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 115.147 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -29.51 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.459 1.481 . . . . 0.0 111.963 174.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.27 -24.24 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 118.673 0.67 . . . . 0.0 110.911 163.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -79.53 -34.2 41.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.971 1.709 . . . . 0.0 112.376 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -59.72 -27.56 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.702 -1.249 . . . . 0.0 111.069 160.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -85.07 -7.27 59.18 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.052 -1.03 . . . . 0.0 113.351 167.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.7 t -101.82 -3.45 27.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.59 1.556 . . . . 0.0 112.975 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.23 -75.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.84 2.456 . . . . 0.0 109.244 164.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -80.47 -71.0 0.48 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 126.402 1.881 . . . . 0.0 110.442 -170.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 126.634 1.974 . . . . 0.0 115.4 161.326 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 119.25 3.055 . . . . 0.0 119.25 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.05 73.1 0.19 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.054 1.342 . . . . 0.0 110.1 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -50.64 149.42 3.28 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 139.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -55.15 -28.14 50.66 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.511 1.524 . . . . 0.0 114.014 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.42 -28.12 53.28 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.716 -1.047 . . . . 0.0 114.458 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -78.46 -48.57 15.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.578 1.551 . . . . 0.0 109.184 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -41.34 -46.36 3.27 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 127.838 2.455 . . . . 0.0 113.578 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -66.24 -34.62 78.43 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.76 -22.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.857 0.863 . . . . 0.0 111.952 -169.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.6 -32.31 64.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 130.847 3.659 . . . . 0.0 112.139 166.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -22.68 34.31 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.26 -1.525 . . . . 0.0 113.243 -168.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.44 -27.56 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.701 1.137 . . . . 0.0 111.735 167.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -108.21 -54.59 2.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.128 2.171 . . . . 0.0 110.301 -159.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -113.65 -6.95 13.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.278 1.831 . . . . 0.0 112.471 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -136.1 40.65 0.52 Allowed Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -53.78 141.24 66.02 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.061 1.841 . . . . 0.0 114.131 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.79 -34.82 5.39 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.913 1.721 . . . . 0.0 113.436 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -60.39 -17.96 47.32 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.118 0.959 . . . . 0.0 112.104 162.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.83 16.53 15.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 127.53 2.332 . . . . 0.0 114.373 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -32.83 -30.59 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.694 2.398 . . . . 0.0 115.961 156.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 52.0 m -127.69 1.87 6.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.61 1.964 . . . . 0.0 112.991 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 -55.16 0.08 OUTLIER Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.551 1.072 . . . . 0.0 112.296 -153.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 74.64 138.3 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 130.548 3.539 . . . . 0.0 114.648 167.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -155.64 6.64 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.701 2.0 . . . . 0.0 112.437 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -137.16 -62.65 0.62 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.785 1.634 . . . . 0.0 111.289 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -106.86 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.413 1.885 . . . . 0.0 109.775 173.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.87 -171.02 0.79 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.386 1.448 . . . . 0.0 111.691 165.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 t 59.66 -61.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.04 1.736 . . . . 0.0 109.629 -149.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -54.53 -30.33 53.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.087 1.355 . . . . 0.0 112.676 165.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -95.42 -6.17 41.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.374 1.443 . . . . 0.0 114.336 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -86.09 -1.78 57.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.536 -0.727 . . . . 0.0 109.461 159.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.36 -75.22 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.649 2.38 . . . . 0.0 108.712 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -39.68 5.53 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.435 3.094 . . . . 0.0 115.348 -169.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -48.03 80.53 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.507 1.523 . . . . 0.0 112.231 174.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.02 -44.37 9.36 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.313 1.845 . . . . 0.0 112.456 -174.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -27.34 -35.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.987 1 C-N-CA 132.306 4.243 . . . . 0.0 115.166 165.055 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.75 34.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 0.0 115.506 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -12.13 49.32 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.295 1.438 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.0 -63.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 CA-C-N 120.105 1.32 . . . . 0.0 114.958 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.59 -60.92 0.1 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -168.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.69 -44.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.778 3.631 . . . . 0.0 108.672 -154.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -65.14 84.34 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.613 -0.679 . . . . 0.0 110.744 150.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -50.92 106.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 128.613 2.765 . . . . 0.0 111.4 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 176.0 7.71 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.707 1.14 . . . . 0.0 113.358 166.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -34.89 69.52 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.701 1.6 . . . . 0.0 113.567 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -68.05 -53.68 23.88 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.202 1.401 . . . . 0.0 110.508 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -50.14 -51.12 46.0 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.538 1.535 . . . . 0.0 110.065 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.55 -67.05 0.4 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.309 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.72 -40.31 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.172 1.351 . . . . 0.0 112.541 -170.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.78 -54.3 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.8 1.24 . . . . 0.0 111.343 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.58 -21.33 38.48 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.5 -48.63 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 124.788 1.235 . . . . 0.0 109.253 163.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -8.9 13.46 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.94 -43.8 10.32 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.141 1.337 . . . . 0.0 111.22 162.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -45.28 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.264 2.225 . . . . 0.0 110.778 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -49.8 -54.35 19.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.674 0.67 . . . . 0.0 112.623 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -79.42 -10.94 59.91 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 119.351 0.978 . . . . 0.0 109.823 163.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 ttm . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.2 p -158.45 -172.57 3.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.212 3.005 . . . . 0.0 108.536 -160.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.89 -65.05 0.63 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 122.201 2.273 . . . . 0.0 111.85 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -42.21 -54.14 3.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.459 2.704 . . . . 0.0 111.061 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -82.65 -26.01 32.55 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.9 -34.39 44.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.539 1.518 . . . . 0.0 111.518 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.3 77.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.449 0.568 . . . . 0.0 109.774 163.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.42 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 47.4 mtm -63.89 -30.68 71.74 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 169.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.11 -31.71 19.15 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 117.854 -1.525 . . . . 0.0 112.953 161.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 mtt -79.57 -38.76 33.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.196 1.998 . . . . 0.0 113.14 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -30.0 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.516 1.507 . . . . 0.0 112.41 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -66.71 -35.48 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.069 159.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.66 -39.73 95.06 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 121.583 1.992 . . . . 0.0 113.042 172.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.7 -22.96 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 121.039 1.745 . . . . 0.0 112.115 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -81.87 -46.11 14.56 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 112.424 165.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -17.62 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.739 2.015 . . . . 0.0 114.913 171.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -55.6 19.46 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.228 2.211 . . . . 0.0 110.953 162.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -101.35 -55.01 2.64 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.685 1.194 . . . . 0.0 113.366 -161.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -21.96 66.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.508 0.67 . . . . 0.0 110.928 162.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.34 38.26 Favored Glycine 0 CA--C 1.535 1.304 0 O-C-N 120.752 -1.218 . . . . 0.0 114.19 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.482 1.148 1 C-N-CA 131.96 4.104 . . . . 0.0 112.213 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 118.664 2.838 . . . . 0.0 118.664 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.87 73.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.333 1.453 . . . . 0.0 110.763 164.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -54.72 152.85 6.56 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.099 0.959 . . . . 0.0 108.464 148.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -45.4 -38.01 5.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.846 2.058 . . . . 0.0 114.324 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.66 -24.46 58.39 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.374 0.988 . . . . 0.0 114.993 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.55 -42.73 16.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.694 1.247 . . . . 0.0 110.363 171.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -49.08 -45.09 42.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.977 1.711 . . . . 0.0 110.89 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -41.09 73.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 m -68.84 -17.91 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 120.029 1.286 . . . . 0.0 113.588 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.43 -39.41 62.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.541 3.137 . . . . 0.0 112.377 165.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mmm -78.73 -26.6 44.72 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -164.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' CD ' ' HZ1' ' A' ' 39' ' ' LYS . 2.2 mt-10 -58.56 -33.86 70.4 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 120.888 1.677 . . . . 0.0 110.764 170.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HZ1' ' CD ' ' A' ' 38' ' ' GLU . 32.5 mmtm -89.1 -50.13 6.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.693 2.397 . . . . 0.0 110.249 -169.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -122.53 -1.78 9.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.73 1.212 . . . . 0.0 114.061 -164.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.68 40.48 0.43 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 124.57 1.148 . . . . 0.0 113.862 164.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.73 140.57 84.64 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.0 1.8 . . . . 0.0 111.904 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.71 8.3 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.9 1.238 . . . . 0.0 113.097 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -69.33 -11.97 61.26 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.082 1.441 . . . . 0.0 111.406 163.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 13.02 21.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.205 1.802 . . . . 0.0 114.269 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -53.88 -31.87 51.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.466 0.575 . . . . 0.0 111.786 161.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.12 -54.71 2.73 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.815 1.646 . . . . 0.0 111.821 166.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.58 33.3 81.36 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.471 0.558 . . . . 0.0 113.939 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 -158.46 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -152.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.18 -32.17 1.08 Allowed 'General case' 0 CA--C 1.558 1.276 1 C-N-CA 132.681 4.392 . . . . 0.0 109.688 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -108.79 -9.2 15.22 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.45 -176.03 5.23 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.913 1.685 . . . . 0.0 111.643 173.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 47.56 -69.2 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 129.852 3.261 . . . . 0.0 116.819 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.97 -46.8 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.526 1.13 . . . . 0.0 109.908 160.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.84 -27.52 64.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.49 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -90.55 -15.6 30.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.725 1.148 . . . . 0.0 112.973 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -73.08 0.1 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 143.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.09 -64.3 0.47 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.394 1.078 . . . . 0.0 112.56 -169.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.7 42.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.279 2.231 . . . . 0.0 115.649 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -48.35 11.37 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 124.587 1.179 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -41.2 66.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.698 0.799 . . . . 0.0 111.535 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.6 -39.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.976 3.71 . . . . 0.0 114.905 169.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.9 45.49 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.06 -10.68 46.53 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.51 -70.04 0.01 OUTLIER Glycine 0 N--CA 1.47 0.96 0 CA-C-N 121.078 1.763 . . . . 0.0 115.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -147.76 -64.06 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.24 -51.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.268 3.427 . . . . 0.0 107.959 -155.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -67.68 97.25 0.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.565 0.746 . . . . 0.0 109.77 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.06 114.47 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.77 2.028 . . . . 0.0 112.85 -171.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.51 168.46 10.91 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.778 2.831 . . . . 0.0 113.633 164.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -62.94 -32.75 74.12 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.767 -1.208 . . . . 0.0 112.41 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.9 p -63.95 -54.41 34.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.103 0.865 . . . . 0.0 110.513 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -48.29 -53.06 18.61 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 126.117 1.767 . . . . 0.0 110.399 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.55 -64.83 0.8 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.093 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -56.25 -37.69 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.169 1.349 . . . . 0.0 112.989 -170.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.3 -50.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.481 1.112 . . . . 0.0 111.194 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -79.54 -22.34 43.99 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.7 t -55.72 -47.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.317 1.047 . . . . 0.0 108.809 165.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.33 -9.69 8.88 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.91 -36.97 13.84 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.323 1.419 . . . . 0.0 111.897 163.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mm -57.44 -43.52 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.908 1.683 . . . . 0.0 110.443 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -60.97 -21.26 63.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 117.188 -1.387 . . . . 0.0 114.499 170.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 p -74.47 -37.86 63.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 121.288 1.858 . . . . 0.0 110.674 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.589 0 C-N-CA 124.623 1.169 . . . . 0.0 112.798 174.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.26 173.27 8.87 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.747 1.619 . . . . 0.0 110.36 173.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.09 -39.2 86.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.652 2.024 . . . . 0.0 111.89 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tp -48.51 -61.42 2.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.776 1.274 . . . . 0.0 110.646 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.96 -35.01 76.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.713 1.605 . . . . 0.0 112.546 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.95 -36.04 49.67 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.957 -1.089 . . . . 0.0 112.903 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.19 96.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.262 0.937 . . . . 0.0 109.544 168.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.0 mtm -60.48 -37.91 82.56 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 167.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.5 -9.31 3.31 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 117.515 -1.714 . . . . 0.0 115.64 163.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.0 mtt -95.86 -43.78 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.279 2.039 . . . . 0.0 112.002 167.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -42.24 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.256 1.844 . . . . 0.0 112.685 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -52.77 -25.7 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.132 0.878 . . . . 0.0 110.677 163.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.53 -11.28 43.29 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 116.285 1.958 . . . . 0.0 116.285 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -40.86 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 108.94 155.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.59 -26.93 67.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 166.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -75.27 -6.33 49.25 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.65 -59.19 2.88 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 121.664 2.029 . . . . 0.0 110.124 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.59 -69.61 0.73 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.112 1.765 . . . . 0.0 110.385 -165.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 128.238 2.615 . . . . 0.0 113.534 162.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 119.223 3.045 . . . . 0.0 119.223 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.21 82.36 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.334 1.053 . . . . 0.0 111.157 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -61.63 154.69 24.41 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 122.053 0.93 . . . . 0.0 109.304 147.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -59.59 -23.76 63.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.401 1.88 . . . . 0.0 114.54 -172.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.8 -36.24 19.71 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.175 0.893 . . . . 0.0 113.568 173.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.55 -49.48 53.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.75 1.22 . . . . 0.0 110.418 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -43.79 -40.05 4.15 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 126.665 1.986 . . . . 0.0 112.912 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -64.39 -57.07 10.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.763 2.425 . . . . 0.0 112.649 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.63 -19.35 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.896 1.679 . . . . 0.0 112.682 -174.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.95 -41.61 42.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.773 2.429 . . . . 0.0 112.68 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt -71.69 -30.86 66.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.54 0.736 . . . . 0.0 112.462 -167.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -53.52 -35.66 60.92 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.762 1.625 . . . . 0.0 112.006 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -97.67 -50.39 4.49 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 126.706 2.002 . . . . 0.0 110.324 -167.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -116.76 -5.02 11.58 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -166.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.02 28.29 0.16 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -46.39 132.33 15.61 Favored 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 122.849 2.366 . . . . 0.0 116.303 -174.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.23 -20.41 16.42 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.968 2.223 . . . . 0.0 114.275 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -69.1 -14.72 63.17 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.945 1.872 . . . . 0.0 111.93 156.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -0.47 4.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.426 3.09 . . . . 0.0 113.264 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -50.4 -27.5 6.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.899 0.88 . . . . 0.0 112.443 153.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -102.32 -66.2 0.94 Allowed 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 126.227 1.811 . . . . 0.0 109.935 165.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.18 14.61 26.37 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.393 0.996 . . . . 0.0 113.894 -167.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -95.1 -93.2 0.19 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-O 117.376 -1.297 . . . . 0.0 113.587 -142.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.3 t0 134.31 -36.78 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.671 3.188 . . . . 0.0 110.338 -153.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -101.43 -10.78 19.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.26 -84.69 0.4 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 116.912 -1.518 . . . . 0.0 109.933 167.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.08 -168.85 2.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.662 1.574 . . . . 0.0 111.205 165.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.78 -53.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.908 1.683 . . . . 0.0 110.086 -144.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.46 -35.19 67.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.155 1.382 . . . . 0.0 113.53 166.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -87.4 -3.82 59.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.35 1.432 . . . . 0.0 114.473 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.13 -4.7 58.21 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.552 -0.717 . . . . 0.0 110.565 159.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.33 -75.14 0.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.906 1.682 . . . . 0.0 109.453 165.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -41.51 4.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 130.384 3.474 . . . . 0.0 114.974 -166.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.84 -48.93 79.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.146 1.778 . . . . 0.0 111.864 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -45.78 11.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.773 1.629 . . . . 0.0 112.281 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -30.35 -34.63 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 131.961 4.104 . . . . 0.0 115.058 168.048 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.26 -23.55 9.17 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.505 1.522 . . . . 0.0 115.076 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.75 0.05 57.35 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 126.581 1.952 . . . . 0.0 111.153 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -142.26 -89.06 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.912 1.244 . . . . 0.0 112.772 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.22 -39.86 0.07 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.029 1.332 . . . . 0.0 112.717 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 166.31 -32.39 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 130.994 3.718 . . . . 0.0 110.608 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -85.83 95.54 9.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.09 -1.006 . . . . 0.0 109.55 170.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 t -63.51 111.32 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 126.947 2.099 . . . . 0.0 112.144 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.12 167.23 16.53 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.675 2.39 . . . . 0.0 113.127 163.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -59.41 -33.51 71.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.636 1.174 . . . . 0.0 112.51 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -64.73 -56.78 11.54 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.239 1.015 . . . . 0.0 110.948 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.07 -54.06 17.66 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.043 1.737 . . . . 0.0 110.78 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -50.05 -66.09 0.45 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.849 1.659 . . . . 0.0 110.781 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.2 tp -64.09 -36.28 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.641 1.11 . . . . 0.0 112.591 -166.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.72 -52.05 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.511 1.124 . . . . 0.0 110.605 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -80.99 -20.53 41.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -56.53 -47.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 124.637 1.175 . . . . 0.0 108.667 163.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -1.31 1.82 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 168.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.78 -40.26 9.44 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.997 1.271 . . . . 0.0 111.673 158.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mm -54.22 -35.97 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.898 2.079 . . . . 0.0 111.634 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.42 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.9 t -53.66 -49.06 68.76 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.057 0.844 . . . . 0.0 112.833 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 42.8 p -61.25 -32.42 72.23 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.404 -0.81 . . . . 0.0 112.217 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 125.094 1.358 . . . . 0.0 114.076 174.654 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 p -70.66 178.74 2.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.389 1.876 . . . . 0.0 111.249 162.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.69 -47.48 70.44 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.662 -1.274 . . . . 0.0 112.338 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -60.66 3.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.568 1.547 . . . . 0.0 110.426 172.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.07 -30.05 70.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 116.988 -1.482 . . . . 0.0 112.873 -172.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.96 -24.74 28.19 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.54 2.336 . . . . 0.0 112.832 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.75 96.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.752 1.16 . . . . 0.0 109.821 158.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.411 ' SD ' HG11 ' B' ' 78' ' ' VAL . 28.9 mtt -70.44 -20.87 62.87 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 167.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.78 88.13 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.817 1.675 . . . . 0.0 111.452 168.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.45 -21.92 59.36 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.093 1.446 . . . . 0.0 113.291 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.4 -54.22 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.836 -1.165 . . . . 0.0 110.847 160.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.24 -21.65 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.032 0.933 . . . . 0.0 110.824 171.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -79.86 -33.06 40.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.36 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -67.45 -29.68 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 122.165 2.257 . . . . 0.0 110.643 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.87 -51.71 63.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 111.834 160.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -70.15 2.84 3.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.06 1.344 . . . . 0.0 114.248 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -54.75 5.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.434 2.293 . . . . 0.0 110.138 159.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -91.18 -48.51 6.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.237 1.415 . . . . 0.0 113.359 -168.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.19 93.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.685 158.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.36 68.09 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 118.784 -1.009 . . . . 0.0 114.207 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.489 1.479 1 C-N-CA 132.626 4.37 . . . . 0.0 110.884 -171.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 72.99 3.72 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.345 1.069 . . . . 0.0 108.887 170.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -52.33 148.57 6.49 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.619 149.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -32.07 -41.21 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 129.371 3.069 . . . . 0.0 115.76 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.21 -25.66 25.81 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -74.2 -43.94 55.23 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.878 1.339 . . . . 0.0 109.452 170.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.56 -44.52 46.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.082 2.153 . . . . 0.0 113.343 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -37.73 76.6 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.11 -47.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.963 0.801 . . . . 0.0 109.939 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.2 -29.69 9.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.125 1.77 . . . . 0.0 112.881 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -85.56 -16.3 39.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.145 -1.597 . . . . 0.0 112.738 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -32.4 73.94 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.756 1.162 . . . . 0.0 110.847 162.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -86.67 -59.23 2.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.674 2.39 . . . . 0.0 110.944 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.56 -40.89 14.77 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.189 1.395 . . . . 0.0 114.48 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.79 47.77 2.46 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.159 1.384 . . . . 0.0 113.225 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -41.47 -37.53 3.45 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.765 2.976 . . . . 0.0 117.813 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 -14.89 81.91 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 120.039 1.291 . . . . 0.0 115.351 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.88 -17.07 62.14 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.798 -1.413 . . . . 0.0 111.39 168.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 0.32 13.6 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.37 -26.46 52.97 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.475 0.579 . . . . 0.0 112.317 156.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -85.21 -72.49 0.48 Allowed 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.043 0.537 . . . . 0.0 109.996 156.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 3.16 3.26 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.917 1.246 . . . . 0.0 115.202 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LYS . 23.4 ttpp -132.45 98.34 4.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 126.902 2.081 . . . . 0.0 109.586 -156.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.72 13.35 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 1 C-N-CA 132.343 4.257 . . . . 0.0 117.485 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LYS . 1.9 mptp? -106.26 -13.73 15.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.935 2.094 . . . . 0.0 112.257 170.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -121.7 -94.61 0.5 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.791 1.237 . . . . 0.0 110.807 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.06 -164.26 0.72 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.177 1.353 . . . . 0.0 110.325 160.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.4 t 62.56 -54.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 126.2 1.8 . . . . 0.0 110.239 -158.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -51.72 -33.63 35.39 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.729 2.012 . . . . 0.0 113.478 160.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -89.68 -4.15 57.89 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.99 -2.91 56.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 164.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.266 3.3 tt -96.19 -81.07 0.42 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.941 2.896 . . . . 0.0 106.594 165.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -41.88 -55.59 3.03 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.784 1.634 . . . . 0.0 114.621 -166.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -42.85 43.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.605 1.962 . . . . 0.0 113.097 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -40.29 11.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.988 1.315 . . . . 0.0 112.5 176.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -7.3 1.58 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.341 1.456 . . . . 0.0 113.85 175.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.88 -23.59 2.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.386 1.074 . . . . 0.0 113.754 160.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.96 -17.65 49.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.645 1.178 . . . . 0.0 113.676 170.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.06 -96.22 0.66 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.539 2.018 . . . . 0.0 112.969 -169.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -157.64 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.768 1.227 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.39 31.03 1.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.997 2.519 . . . . 0.0 110.535 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -141.71 99.23 3.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.24 2.216 . . . . 0.0 109.511 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.1 t -66.56 118.0 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.165 1.386 . . . . 0.0 112.762 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.86 166.81 22.84 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.443 1.897 . . . . 0.0 113.056 164.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.82 -34.07 73.98 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.617 1.167 . . . . 0.0 113.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 p -63.35 -57.42 10.42 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.754 1.222 . . . . 0.0 110.594 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -49.15 -51.45 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 130.502 3.521 . . . . 0.0 110.397 174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -50.0 -67.5 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.802 1.241 . . . . 0.0 111.796 166.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.29 -38.28 73.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 120.239 1.381 . . . . 0.0 112.73 -169.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.66 -55.77 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.762 1.225 . . . . 0.0 110.628 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -76.42 -27.26 56.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.57 -45.29 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.556 167.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.94 -2.85 16.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.63 13.54 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.441 1.019 . . . . 0.0 111.91 157.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.9 mm -55.98 -42.4 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.004 1.322 . . . . 0.0 111.434 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.404 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 11.8 t -57.15 -10.87 1.35 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 171.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 m -106.52 -49.43 3.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.147 1.379 . . . . 0.0 109.324 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 125.268 1.427 . . . . 0.0 112.715 176.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.7 p -142.79 -86.8 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 112.765 -156.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.39 -66.55 0.24 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.744 3.618 . . . . 0.0 104.693 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.8 -56.46 19.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.396 2.279 . . . . 0.0 112.15 161.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -75.34 -24.39 57.34 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.295 -0.878 . . . . 0.0 111.657 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.23 65.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.953 -0.546 . . . . 0.0 111.545 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.08 92.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.835 0.854 . . . . 0.0 111.212 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.404 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 54.8 mtm -60.48 -36.62 78.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.527 1.058 . . . . 0.0 112.875 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.23 -0.93 0.22 Allowed Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.903 1.716 . . . . 0.0 116.337 162.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.9 mtp -106.48 -41.15 5.36 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.206 2.003 . . . . 0.0 111.901 168.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.8 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.974 1.261 . . . . 0.0 112.336 174.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.33 -27.29 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.633 0.773 . . . . 0.0 110.834 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . 0.483 ' CG ' HH12 ' B' ' 17' ' ' ARG . 13.4 t70 -103.26 6.74 38.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.815 1.646 . . . . 0.0 114.271 -169.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 -28.18 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 120.552 -1.342 . . . . 0.0 110.231 152.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' B' ' 17' ' ' ARG . 53.2 t80 -70.74 -41.43 71.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.246 1.418 . . . . 0.0 113.435 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.4 t -62.58 14.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.991 2.116 . . . . 0.0 114.806 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.483 HH12 ' CG ' ' B' ' 13' ' ' ASP . 0.0 OUTLIER -93.77 -60.9 1.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.7 2.4 . . . . 0.0 108.507 165.013 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -75.93 -76.63 0.15 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.11 2.164 . . . . 0.0 111.314 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 29.1 t . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 123.359 0.663 . . . . 0.0 112.637 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.46 73.71 0.23 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.667 1.222 . . . . 0.0 111.313 168.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -56.7 148.62 19.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.431 1.492 . . . . 0.0 108.627 146.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -50.62 -29.86 11.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.149 2.179 . . . . 0.0 113.999 -174.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.16 -26.82 32.69 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.256 1.408 . . . . 0.0 115.256 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -75.31 -46.64 32.16 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.996 1.398 . . . . 0.0 109.407 167.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 tt -49.42 -50.45 40.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.792 2.037 . . . . 0.0 112.166 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -57.45 -50.59 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.75 -22.16 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.3 -37.13 66.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.85 2.06 . . . . 0.0 111.717 171.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 8.1 mmt -72.15 -19.29 61.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.067 0.947 . . . . 0.0 112.545 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -61.18 -23.96 65.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 112.745 164.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -109.01 -54.6 2.51 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.991 1.716 . . . . 0.0 109.598 -167.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -83.24 -31.26 27.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.05 30.32 0.19 Allowed Pre-proline 0 CA--C 1.565 1.526 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -171.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -49.43 120.95 6.33 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 123.08 2.136 . . . . 0.0 112.766 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.7 -33.96 4.57 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.652 1.596 . . . . 0.0 113.042 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -70.85 -20.53 62.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.009 1.905 . . . . 0.0 112.113 163.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 1.41 1.73 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.026 1.73 . . . . 0.0 114.62 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -26.13 27.09 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.702 -0.624 . . . . 0.0 111.206 156.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -75.36 -70.63 0.41 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.832 1.653 . . . . 0.0 111.888 160.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.92 2.17 44.42 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.404 2.906 . . . . 0.0 114.876 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.414 ' HZ1' ' HB3' ' B' ' 49' ' ' LYS . 5.7 ttpm? -161.49 111.96 1.67 Allowed 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 124.77 1.228 . . . . 0.0 108.686 -148.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.3 45.11 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.902 3.281 . . . . 0.0 115.009 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.58 -12.63 2.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.73 2.412 . . . . 0.0 113.593 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -123.34 -79.67 0.62 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.742 1.156 . . . . 0.0 110.646 166.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.7 -156.12 0.54 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.058 0.943 . . . . 0.0 110.122 160.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t 59.9 -57.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.851 1.66 . . . . 0.0 109.778 -148.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -47.58 -32.13 5.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.496 2.319 . . . . 0.0 113.881 161.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -96.14 -9.89 29.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.44 -0.32 41.09 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.535 -0.728 . . . . 0.0 110.508 159.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tt -103.45 -71.26 0.73 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.157 2.583 . . . . 0.0 108.587 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -28.3 8.85 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.239 2.216 . . . . 0.0 116.167 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.04 -49.08 63.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.244 1.018 . . . . 0.0 111.906 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.88 -38.85 16.36 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.687 1.595 . . . . 0.0 112.774 -173.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -25.45 -33.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.838 1 C-N-CA 132.246 4.218 . . . . 0.0 116.178 166.142 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.51 31.64 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.162 1.785 . . . . 0.0 115.329 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -22.14 30.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.485 1.114 . . . . 0.0 112.158 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.56 -67.2 0.05 OUTLIER Glycine 0 CA--C 1.527 0.796 0 CA-C-N 120.067 1.303 . . . . 0.0 114.037 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -157.67 -62.0 0.09 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.659 0.784 . . . . 0.0 112.752 -170.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.02 -54.22 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 130.005 3.322 . . . . 0.0 107.836 -157.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.19 97.47 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.729 -0.607 . . . . 0.0 109.659 158.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.48 124.56 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.778 1.631 . . . . 0.0 113.559 -168.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 169.42 17.88 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.05 1.74 . . . . 0.0 113.797 164.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -61.26 -29.74 70.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 113.182 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -65.46 -56.35 12.93 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.5 1.92 . . . . 0.0 110.118 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.04 -50.28 67.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.144 0.978 . . . . 0.0 110.563 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' B' ' 15' ' ' PHE . 35.3 t80 -51.18 -65.91 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.866 1.266 . . . . 0.0 111.921 173.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.9 -38.73 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.325 0.966 . . . . 0.0 111.928 -169.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.41 -39.0 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.116 1.366 . . . . 0.0 112.2 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -95.19 -19.61 19.92 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.411 HG11 ' SD ' ' A' ' 8' ' ' MET . 59.5 t -55.01 -34.69 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 119.555 1.071 . . . . 0.0 110.669 165.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.56 65.43 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 169.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.3 -51.13 5.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.556 1.071 . . . . 0.0 109.923 165.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -46.13 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 128.943 2.897 . . . . 0.0 112.665 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -50.29 -28.3 7.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.702 1.601 . . . . 0.0 113.96 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -99.03 -46.04 5.73 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.536 0.735 . . . . 0.0 111.705 166.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -165.088 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 46.7 ttp . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.438 ' H ' ' HB2' ' A' ' 5' ' ' GLU . 43.2 p -151.55 -172.27 4.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.295 2.638 . . . . 0.0 108.944 -165.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -56.15 -48.92 75.35 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 121.239 1.836 . . . . 0.0 111.309 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.51 -53.48 55.79 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 128.027 2.531 . . . . 0.0 112.208 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 2' ' ' THR . 59.1 mt-10 -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.28 74.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 120.433 1.47 . . . . 0.0 110.993 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.67 84.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.101 0.41 . . . . 0.0 110.804 167.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.22 -32.56 73.24 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.46 -29.19 16.64 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.163 -1.354 . . . . 0.0 112.927 165.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtt -83.96 -31.01 25.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.691 1.746 . . . . 0.0 113.405 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -39.67 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 120.648 1.567 . . . . 0.0 111.186 168.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.9 mm -57.04 -31.94 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.332 164.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.87 -49.78 66.87 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.858 -1.544 . . . . 0.0 111.884 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.09 -30.05 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.554 2.434 . . . . 0.0 112.8 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.81 -49.79 49.24 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.637 -1.29 . . . . 0.0 112.599 164.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -18.25 64.21 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.929 1.692 . . . . 0.0 113.142 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -57.27 3.99 Favored 'General case' 0 CA--C 1.531 0.213 1 C-N-CA 131.994 4.118 . . . . 0.0 108.717 169.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.56 -50.4 12.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.6 p -62.98 -14.72 51.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.181 0.992 . . . . 0.0 112.68 166.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.43 0.67 8.39 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.938 1.732 . . . . 0.0 115.147 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.484 1.259 1 C-N-CA 132.326 4.25 . . . . 0.0 112.629 -172.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.23 68.5 0.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.293 1.037 . . . . 0.0 110.861 167.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -56.12 154.7 7.4 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.552 -0.718 . . . . 0.0 109.133 151.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -36.34 -38.22 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 129.345 3.058 . . . . 0.0 114.0 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.56 -34.49 8.49 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.092 1.329 . . . . 0.0 116.003 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.2 -47.48 61.32 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.772 1.786 . . . . 0.0 109.719 173.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -44.9 -52.33 8.76 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.369 1.468 . . . . 0.0 109.699 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -55.08 -54.34 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.438 1.895 . . . . 0.0 113.48 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.8 -10.37 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.32 -28.09 38.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.414 1.485 . . . . 0.0 111.619 165.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -23.54 19.68 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -159.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -20.31 62.87 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 121.669 2.031 . . . . 0.0 111.023 168.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -92.49 -59.07 2.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.699 2.0 . . . . 0.0 110.334 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.93 -4.06 17.06 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -165.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.35 36.77 0.29 Allowed Pre-proline 0 CA--C 1.564 1.5 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 170.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -48.66 133.35 26.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 122.401 1.893 . . . . 0.0 112.998 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.26 -25.67 24.22 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.479 1.514 . . . . 0.0 113.806 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.69 -15.9 60.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.809 1.805 . . . . 0.0 112.356 160.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.81 17.97 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.992 1.717 . . . . 0.0 114.256 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.0 -28.49 66.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 158.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 49' ' ' LYS . 10.3 m -82.24 -73.58 0.39 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.406 0.682 . . . . 0.0 110.476 156.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.09 -19.17 0.06 OUTLIER Glycine 0 CA--C 1.544 1.893 0 C-N-CA 127.302 2.382 . . . . 0.0 116.242 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 47' ' ' SER . 6.8 ttpm? -105.89 106.12 16.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 131.496 3.918 . . . . 0.0 109.042 -173.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -56.71 20.53 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.017 3.727 . . . . 0.0 115.632 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 49' ' ' LYS . 10.6 mptt -111.92 -11.02 13.94 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.036 2.134 . . . . 0.0 111.673 171.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.64 -103.23 0.41 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.456 161.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.79 -160.88 0.21 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.824 1.647 . . . . 0.0 111.459 166.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t 62.4 -60.21 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 126.296 1.838 . . . . 0.0 109.185 -154.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.45 -39.43 64.43 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.161 1.785 . . . . 0.0 112.862 160.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -90.88 9.65 29.51 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 170.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.77 -65.34 1.0 Allowed 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 146.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -35.9 -64.93 0.28 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.22 1.408 . . . . 0.0 111.861 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -20.53 6.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.156 2.182 . . . . 0.0 115.895 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -42.46 15.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.904 0.775 . . . . 0.0 111.522 176.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -34.07 23.08 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.265 1.026 . . . . 0.0 112.584 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -31.39 -41.91 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 131.404 3.882 . . . . 0.0 113.818 162.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.99 -26.8 11.47 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.672 1.589 . . . . 0.0 114.617 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.21 4.36 50.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.89 -70.34 0.01 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 116.07 1.188 . . . . 0.0 116.07 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -159.85 -68.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.0 1.32 . . . . 0.0 111.439 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 160.5 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 130.446 3.498 . . . . 0.0 108.609 -164.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.11 78.41 0.95 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.023 0.916 . . . . 0.0 110.112 163.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.75 121.12 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 129.105 2.962 . . . . 0.0 113.014 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . 0.254 0.0 OUTLIER -89.81 172.05 9.18 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.122 1.369 . . . . 0.0 113.791 170.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -44.65 43.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.849 1.66 . . . . 0.0 113.731 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.5 p -69.01 -12.79 62.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.076 2.15 . . . . 0.0 114.025 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -106.25 -46.6 4.01 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.147 1.779 . . . . 0.0 107.235 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.32 -62.36 1.53 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.434 1.894 . . . . 0.0 111.497 159.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.14 -40.29 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -163.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.4 t -57.06 -46.8 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.321 1.448 . . . . 0.0 110.7 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -84.13 -21.55 31.37 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.03 -46.5 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.613 1.097 . . . . 0.0 108.82 165.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -5.37 12.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.45 -45.3 9.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.997 1.272 . . . . 0.0 110.762 160.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -40.42 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 129.133 2.973 . . . . 0.0 112.288 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -47.86 -39.18 17.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -87.02 -43.15 12.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.381 1.072 . . . . 0.0 111.368 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -164.37 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' THR . . . . . 0.413 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.6 p -76.62 -170.55 1.58 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.795 3.238 . . . . 0.0 111.892 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -72.91 -44.11 61.61 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.817 3.008 . . . . 0.0 110.909 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.78 -52.03 34.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.55 1.54 . . . . 0.0 110.985 168.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.413 ' HB2' ' H ' ' B' ' 2' ' ' THR . 93.5 mt-10 -79.02 -19.88 50.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.886 -1.054 . . . . 0.0 113.816 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 -40.73 54.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 121.209 1.822 . . . . 0.0 110.987 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.82 77.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.215 0.462 . . . . 0.0 110.621 167.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtm -68.56 -33.85 74.81 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.04 -40.66 10.15 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 118.205 -1.331 . . . . 0.0 111.027 160.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 57.8 mtp -71.3 -25.61 62.51 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 115.745 -2.074 . . . . 0.0 114.969 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.313 0.0 OUTLIER -89.17 -29.5 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 122.954 2.616 . . . . 0.0 113.52 171.023 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.2 -38.2 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 118.68 0.673 . . . . 0.0 109.648 159.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . 0.441 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 17.8 t70 -84.7 -15.66 44.48 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -32.61 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.237 -1.539 . . . . 0.0 110.128 161.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -73.45 -38.95 65.31 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 113.07 170.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 12.2 t -43.97 -35.83 2.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 129.488 3.115 . . . . 0.0 114.847 174.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -50.07 -27.3 5.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.674 2.79 . . . . 0.0 113.33 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -130.91 -53.05 1.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.007 1.723 . . . . 0.0 112.01 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -173.766 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.6 p . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 117.757 2.503 . . . . 0.0 117.757 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.14 66.08 0.4 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.719 1.247 . . . . 0.0 110.582 167.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -50.39 145.26 6.54 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.315 145.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -41.01 -42.11 1.83 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.859 2.464 . . . . 0.0 114.391 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -24.9 65.12 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.579 1.085 . . . . 0.0 115.223 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -79.71 -52.83 7.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.699 1.25 . . . . 0.0 109.288 167.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 tt -43.0 -54.7 4.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.807 2.443 . . . . 0.0 112.15 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -39.49 55.59 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -177.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.14 -18.89 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.55 1.14 . . . . 0.0 111.452 -173.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.73 -43.37 15.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.206 1.802 . . . . 0.0 111.712 169.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 12.1 mmt -71.24 -34.41 70.75 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.552 1.141 . . . . 0.0 112.82 -168.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.72 -18.0 4.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.332 1.453 . . . . 0.0 112.807 170.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -115.55 -47.05 2.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.22 2.208 . . . . 0.0 110.255 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -102.13 -14.07 17.22 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.42 34.77 0.27 Allowed Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -36.21 111.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.835 3.024 . . . . 0.0 114.071 161.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.75 -42.02 1.53 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.25 1.405 . . . . 0.0 112.956 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -66.89 -21.92 65.98 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 123.073 1.416 . . . . 0.0 111.401 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -1.63 9.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.113 2.565 . . . . 0.0 113.359 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -52.05 -35.35 47.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.049 0.94 . . . . 0.0 112.107 162.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.1 m -108.09 -47.15 3.61 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 124.896 1.279 . . . . 0.0 110.997 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.6 23.47 49.68 Favored Glycine 0 CA--C 1.538 1.509 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.924 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -124.72 162.26 24.6 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -154.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.7 -8.21 4.37 Favored 'General case' 0 CA--C 1.544 0.718 1 C-N-CA 132.115 4.166 . . . . 0.0 115.375 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 -33.9 5.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.554 1.142 . . . . 0.0 112.92 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -149.22 -0.63 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -153.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.51 -67.55 0.3 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.852 1.66 . . . . 0.0 114.097 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.4 t -58.18 -37.78 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.572 0.749 . . . . 0.0 109.559 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.53 -26.15 68.41 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -91.42 -39.56 11.92 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.977 1.262 . . . . 0.0 111.695 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.75 -8.48 3.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.003 164.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 tt -92.59 -80.15 0.38 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.073 2.149 . . . . 0.0 107.89 158.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -41.29 14.72 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.232 1.813 . . . . 0.0 115.861 -166.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -37.18 86.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.065 0.848 . . . . 0.0 111.849 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -43.99 7.82 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.614 1.566 . . . . 0.0 111.897 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -4.83 0.89 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.632 1.573 . . . . 0.0 113.283 174.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.86 -25.76 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.354 158.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.77 -16.38 55.67 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.716 1.206 . . . . 0.0 113.626 170.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -96.49 0.69 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.26 1.886 . . . . 0.0 112.22 -172.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -159.28 -79.21 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.372 1.069 . . . . 0.0 111.377 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.47 24.35 1.25 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.438 1.895 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -138.83 76.87 1.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.957 1.703 . . . . 0.0 111.867 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -42.34 124.18 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 127.631 2.372 . . . . 0.0 114.466 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.72 167.82 11.22 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 127.922 2.489 . . . . 0.0 113.267 168.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -60.15 -38.52 83.4 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.626 -1.296 . . . . 0.0 113.317 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -75.96 1.74 14.48 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.978 0.808 . . . . 0.0 112.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -112.22 -51.75 2.82 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 127.461 2.304 . . . . 0.0 107.297 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.27 -60.53 2.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.819 1.248 . . . . 0.0 111.655 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.0 -39.95 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 120.127 1.33 . . . . 0.0 113.391 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.06 -52.35 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.639 1.176 . . . . 0.0 109.911 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.83 -18.41 47.53 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.36 -51.49 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 120.266 1.394 . . . . 0.0 108.797 161.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -16.86 63.88 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 -19.58 44.27 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.875 -1.141 . . . . 0.0 113.221 164.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.75 -46.47 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.613 1.565 . . . . 0.0 110.876 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -54.96 -43.58 73.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.209 163.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 17.3 m -64.67 -13.54 54.56 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 125.328 1.451 . . . . 0.0 111.257 171.174 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.477 0.18 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 p -148.0 -175.6 4.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 131.228 3.811 . . . . 0.0 106.531 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.49 -52.8 63.35 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.662 2.028 . . . . 0.0 112.221 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.48 -36.81 81.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.85 -28.44 58.2 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.652 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.73 82.31 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.502 1.046 . . . . 0.0 110.235 169.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.1 78.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.445 0.698 . . . . 0.0 112.862 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm -62.5 -33.62 75.23 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.931 1.241 . . . . 0.0 112.912 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.44 -40.02 3.51 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.451 161.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mtt -76.58 -18.25 58.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.984 1.892 . . . . 0.0 114.926 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -24.89 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 120.618 1.554 . . . . 0.0 113.285 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.48 -28.28 39.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 147.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -73.72 -42.2 61.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.145 -1.883 . . . . 0.0 113.051 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 3.0 m -60.39 -35.17 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 122.542 2.428 . . . . 0.0 111.965 172.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -58.86 -46.71 87.12 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.398 0.544 . . . . 0.0 111.4 165.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 m -62.92 -24.41 67.84 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 114.011 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -70.31 -46.48 64.14 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.755 1.616 . . . . 0.0 110.045 168.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -104.37 -24.26 13.1 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -159.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.9 m -75.84 -8.53 57.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.647 1.112 . . . . 0.0 111.667 149.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.89 7.51 36.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.939 1.257 . . . . 0.0 113.99 -166.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.477 0.879 1 C-N-CA 133.728 4.811 . . . . 0.0 107.237 -167.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.9 110.35 22.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.89 3.276 . . . . 0.0 108.407 158.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -74.81 162.06 29.01 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.595 1.089 . . . . 0.0 111.364 160.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -53.06 -33.95 54.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.279 1.832 . . . . 0.0 113.399 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.33 -11.27 72.53 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.799 1.19 . . . . 0.0 115.006 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -100.04 -43.19 6.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 128.187 2.595 . . . . 0.0 109.452 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.29 -25.63 1.64 Allowed 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 128.793 2.837 . . . . 0.0 114.756 165.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -76.23 -43.26 42.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.701 2.046 . . . . 0.0 115.548 -164.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.48 -10.65 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 122.358 1.075 . . . . 0.0 111.966 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.02 -30.08 62.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.78 2.432 . . . . 0.0 111.77 163.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 39' ' ' LYS . 13.5 mmt -74.89 -47.46 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.423 -1.423 . . . . 0.0 111.397 -170.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.85 -5.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 129.151 2.981 . . . . 0.0 115.057 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 37' ' ' MET . 4.1 tptp -141.84 -53.45 0.44 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 129.163 2.985 . . . . 0.0 108.26 -148.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' CD ' ' HZ1' ' A' ' 39' ' ' LYS . 2.0 mm-40 -103.73 -21.73 13.66 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.353 0.0 OUTLIER -147.28 69.75 11.67 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 121.256 1.844 . . . . 0.0 114.818 164.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.77 -5.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.965 5.11 . . . . 0.0 119.714 169.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.99 2.78 87.19 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.807 1.67 . . . . 0.0 115.199 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -118.78 6.79 11.51 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.248 1.419 . . . . 0.0 112.303 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.78 -14.74 24.41 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.437 1.895 . . . . 0.0 112.686 -168.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -63.56 -24.31 67.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.347 2.259 . . . . 0.0 110.424 170.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -91.46 -70.22 0.7 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.423 1.489 . . . . 0.0 109.732 153.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.96 -9.48 6.54 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.91 1.924 . . . . 0.0 117.91 168.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HE3' ' N ' ' A' ' 49' ' ' LYS 0.297 0.0 OUTLIER -155.54 -67.74 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.677 2.239 . . . . 0.0 114.254 169.135 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 29.04 6.58 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 135.891 5.676 . . . . 0.0 120.387 176.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 65.97 3.5 2.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.811 2.445 . . . . 0.0 112.517 -153.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.37 -169.08 2.01 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 128.263 2.625 . . . . 0.0 111.188 -171.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 48.15 -66.27 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 130.116 3.366 . . . . 0.0 117.47 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.93 -40.81 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.006 1.722 . . . . 0.0 109.578 154.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.48 -27.94 69.32 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -92.87 -30.66 15.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.439 1.472 . . . . 0.0 112.124 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.87 1.6 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.519 1.528 . . . . 0.0 113.348 156.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -112.75 -68.83 0.9 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.839 2.456 . . . . 0.0 109.047 164.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -29.12 10.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.739 2.416 . . . . 0.0 115.803 -173.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.09 -37.32 66.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.431 1.014 . . . . 0.0 111.825 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -41.15 11.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.762 1.625 . . . . 0.0 112.195 -176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -28.17 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 132.805 4.442 . . . . 0.0 116.127 168.133 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.68 -22.68 24.39 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.531 1.532 . . . . 0.0 115.014 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -7.88 56.84 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.293 1.837 . . . . 0.0 111.659 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.16 -77.12 0.02 OUTLIER Glycine 0 C--N 1.343 0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 114.43 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -146.53 -62.68 0.3 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 147.3 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 129.805 3.242 . . . . 0.0 107.714 -156.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.12 101.31 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 152.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.44 108.3 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 126.666 1.986 . . . . 0.0 110.757 -161.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 161.73 10.07 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.367 1.867 . . . . 0.0 112.609 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -56.97 -33.93 67.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.851 . . . . 0.0 112.322 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -65.86 -52.84 46.92 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.516 1.127 . . . . 0.0 110.515 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.99 -50.8 60.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.008 1.323 . . . . 0.0 110.039 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.61 -64.59 0.85 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.771 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.89 -35.59 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.922 1.237 . . . . 0.0 113.292 -172.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.39 -54.19 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.824 0.849 . . . . 0.0 110.222 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -78.07 -16.02 58.4 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.4 -51.54 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 120.61 1.55 . . . . 0.0 109.203 165.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.35 69.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.753 0.706 . . . . 0.0 112.865 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.12 -27.7 68.25 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.342 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.45 -47.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 121.329 1.877 . . . . 0.0 112.026 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -59.09 -37.73 77.81 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.846 1.203 . . . . 0.0 110.671 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -47.11 84.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.226 0.61 . . . . 0.0 110.977 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.235 0 C-N-CA 124.43 1.092 . . . . 0.0 112.236 -176.472 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 16.0 p -152.27 -171.05 3.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.376 3.471 . . . . 0.0 107.039 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -65.44 -50.58 64.89 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 123.883 3.038 . . . . 0.0 110.114 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.32 -48.25 68.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.703 2.001 . . . . 0.0 112.672 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -78.79 -22.32 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.701 -1.143 . . . . 0.0 113.747 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.78 67.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 121.447 1.93 . . . . 0.0 110.411 169.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.19 78.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.536 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 76.1 mtm -68.52 -23.28 64.52 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.48 -44.81 22.45 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.477 -1.179 . . . . 0.0 110.573 159.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 30.8 mtt -69.44 -36.52 76.72 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.778 1.289 . . . . 0.0 113.68 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.43 0.0 OUTLIER -77.83 -9.6 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 171.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -87.24 -21.44 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.988 0 C-N-CA 125.128 1.371 . . . . 0.0 110.997 157.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . 0.444 ' CG ' HH12 ' B' ' 17' ' ' ARG . 17.3 t0 -78.07 -34.23 50.39 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.147 -1.596 . . . . 0.0 112.644 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.01 -36.84 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 119.233 0.924 . . . . 0.0 112.142 164.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -73.83 -39.12 64.26 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.48 -0.763 . . . . 0.0 109.997 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -71.42 3.46 3.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.248 2.219 . . . . 0.0 113.348 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.444 HH12 ' CG ' ' B' ' 13' ' ' ASP . 0.0 OUTLIER -73.18 -71.85 0.28 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.844 1.202 . . . . 0.0 108.271 157.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -40.29 17.05 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -165.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.479 165.646 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.97 98.9 8.41 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.315 1.446 . . . . 0.0 108.455 158.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -69.47 148.72 49.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 109.74 162.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -48.16 -35.51 11.8 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.215 1.806 . . . . 0.0 113.418 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.43 65.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.424 -1.209 . . . . 0.0 115.117 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.46 -44.57 11.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.267 1.534 . . . . 0.0 109.706 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -43.93 -49.63 8.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.846 2.859 . . . . 0.0 112.062 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -51.48 -41.45 60.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.66 -30.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 118.672 0.669 . . . . 0.0 111.238 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.1 -40.28 82.64 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.386 1.875 . . . . 0.0 111.616 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.95 -25.36 67.84 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.148 0.979 . . . . 0.0 112.968 -172.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -25.17 64.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.471 1.108 . . . . 0.0 112.782 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -107.22 -43.35 4.62 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 126.061 1.744 . . . . 0.0 111.086 -165.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -120.37 -9.12 9.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.392 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.6 31.08 0.15 Allowed Pre-proline 0 CA--C 1.565 1.53 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 168.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -39.14 117.86 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 123.548 2.832 . . . . 0.0 114.033 165.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -41.56 1.81 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.975 1.274 . . . . 0.0 112.799 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -69.45 -20.49 63.76 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.325 1.562 . . . . 0.0 111.632 170.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -7.44 15.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.117 2.567 . . . . 0.0 113.52 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.8 -29.08 66.57 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.298 1.408 . . . . 0.0 111.782 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -100.26 -64.37 1.05 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.688 0.795 . . . . 0.0 109.516 159.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 -8.14 3.63 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 117.519 -1.712 . . . . 0.0 116.283 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.645 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.283 0.0 OUTLIER -160.7 -100.39 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.331 2.065 . . . . 0.0 112.27 167.459 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.645 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 1.9 m-20 52.25 19.74 1.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.652 3.181 . . . . 0.0 114.838 170.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.04 -7.17 0.22 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.343 2.657 . . . . 0.0 114.583 -167.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -131.64 6.78 4.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.444 1.498 . . . . 0.0 114.719 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.4 174.1 10.77 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.057 -1.027 . . . . 0.0 109.428 147.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t 61.41 -57.15 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.278 1.831 . . . . 0.0 110.934 -161.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.73 -37.03 17.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.677 2.391 . . . . 0.0 113.697 164.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -95.88 -5.19 42.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.41 1.084 . . . . 0.0 113.736 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.18 2.92 55.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.224 1.009 . . . . 0.0 110.247 161.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.83 -78.65 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.262 2.625 . . . . 0.0 108.861 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -50.55 10.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.71 2.004 . . . . 0.0 114.502 -170.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -11.34 3.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.724 2.41 . . . . 0.0 114.409 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.04 -35.71 2.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.393 1.877 . . . . 0.0 112.782 174.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -6.29 0.75 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.575 1.55 . . . . 0.0 113.35 167.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.96 -23.3 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.782 -1.199 . . . . 0.0 113.782 158.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.96 -3.85 56.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 125.592 1.557 . . . . 0.0 112.854 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.21 -102.87 0.77 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 127.098 2.285 . . . . 0.0 112.336 -174.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.79 -83.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.27 1.828 . . . . 0.0 110.765 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.44 25.95 2.0 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.623 2.369 . . . . 0.0 111.422 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -139.0 91.74 2.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.882 2.073 . . . . 0.0 109.925 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.97 125.12 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.433 1.893 . . . . 0.0 112.289 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.262 0.4 OUTLIER -87.04 169.4 12.45 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 120.294 1.406 . . . . 0.0 113.906 166.642 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -38.48 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.107 1.363 . . . . 0.0 113.571 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 95.4 p -66.21 -54.14 28.72 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 110.101 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.1 -49.43 63.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.198 2.599 . . . . 0.0 110.517 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -53.79 -61.15 2.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.05 171.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -37.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 119.631 1.105 . . . . 0.0 112.93 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -48.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 119.863 1.211 . . . . 0.0 111.318 174.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -74.53 -24.77 59.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.68 -46.64 83.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.997 0.817 . . . . 0.0 109.377 167.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -10.78 38.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.12 24.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.807 1.185 . . . . 0.0 111.884 162.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.27 -44.28 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 119.986 1.266 . . . . 0.0 111.651 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 12.7 t -65.27 -6.04 8.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.4 p -98.73 -29.45 13.0 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.53 1.132 . . . . 0.0 111.784 167.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 O-C-N 120.986 -1.071 . . . . 0.0 111.207 170.361 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 p -151.24 -177.71 6.21 Favored 'General case' 0 N--CA 1.474 0.739 1 C-N-CA 132.54 4.336 . . . . 0.0 106.966 -172.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -52.34 -44.55 65.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.627 1.558 . . . . 0.0 113.285 175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -102.34 -21.95 14.21 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.05 -34.11 77.28 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.847 -1.158 . . . . 0.0 111.014 158.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.48 -23.05 37.64 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.792 1.178 . . . . 0.0 112.816 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.57 79.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 120.313 1.415 . . . . 0.0 109.603 158.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 mtm -59.89 -36.25 76.57 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 166.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.53 -28.76 5.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 117.624 -1.653 . . . . 0.0 114.052 162.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -82.72 -29.27 29.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.815 2.308 . . . . 0.0 113.755 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -28.3 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.589 -1.319 . . . . 0.0 112.794 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.86 -38.58 80.91 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.291 153.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 28.8 t70 -56.52 -51.48 68.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 121.512 1.96 . . . . 0.0 111.522 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -45.33 -33.21 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.293 0.952 . . . . 0.0 112.358 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -86.73 -27.93 23.36 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.432 1.893 . . . . 0.0 114.866 173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.79 -27.87 65.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.056 2.542 . . . . 0.0 113.052 160.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.405 HH22 ' CD ' ' B' ' 3' ' ' GLU . 6.7 mtm180 -82.91 -61.81 1.77 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 112.649 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -81.82 -61.98 1.77 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.295 0.638 . . . . 0.0 112.399 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -3.02 3.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.236 1.814 . . . . 0.0 114.247 166.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 4.05 56.22 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.542 1.068 . . . . 0.0 114.848 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.481 1.118 1 C-N-CA 132.64 4.376 . . . . 0.0 107.345 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 10.6 p . . . . . 0 C--O 1.237 0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.66 71.21 0.98 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.097 0.951 . . . . 0.0 110.2 162.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -50.23 148.03 3.81 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 146.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 55' ' ' ASP . 72.9 tttt -38.94 -36.53 0.29 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.652 2.381 . . . . 0.0 113.84 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.74 -28.22 51.71 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.758 1.17 . . . . 0.0 115.228 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.2 -42.43 13.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.356 1.462 . . . . 0.0 110.276 172.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -45.28 -40.81 7.98 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 126.84 2.056 . . . . 0.0 112.098 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -69.39 -40.4 77.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.1 -11.3 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -170.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.275 13.9 tp -74.46 -29.72 61.58 Favored 'General case' 0 CA--C 1.544 0.728 1 C-N-CA 131.811 4.044 . . . . 0.0 112.185 164.764 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -20.52 17.52 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 119.589 -1.944 . . . . 0.0 113.362 -158.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CD ' ' HZ2' ' A' ' 39' ' ' LYS . 2.8 mt-10 -62.04 -30.78 71.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.44 1.018 . . . . 0.0 110.848 163.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HZ2' ' CD ' ' A' ' 38' ' ' GLU . 35.7 mmtm -95.93 -55.06 3.11 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 127.834 2.454 . . . . 0.0 110.522 -164.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.9 -12.44 11.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.587 1.555 . . . . 0.0 111.789 -165.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.57 38.32 0.41 Allowed Pre-proline 0 CA--C 1.562 1.422 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -52.63 138.21 58.58 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 122.175 1.813 . . . . 0.0 112.914 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.09 -31.73 7.38 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.694 1.14 . . . . 0.0 113.996 -172.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.65 -18.51 64.03 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.606 1.703 . . . . 0.0 110.23 165.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.24 0.49 16.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.079 2.552 . . . . 0.0 114.49 172.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.93 -17.85 62.36 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.712 0.805 . . . . 0.0 112.499 163.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -103.86 -57.97 1.95 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.766 1.226 . . . . 0.0 110.323 153.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.47 15.38 52.54 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.396 0.0 OUTLIER 89.78 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 129.959 3.303 . . . . 0.0 112.682 -174.1 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.38 -21.68 11.71 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.512 1.925 . . . . 0.0 112.2 168.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? 139.12 -25.82 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.2 5.0 . . . . 0.0 110.888 -165.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.28 -91.34 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.348 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.39 -175.26 5.62 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.902 1.683 . . . . 0.0 113.897 -167.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.4 t 61.39 -58.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 127.69 2.396 . . . . 0.0 110.085 -158.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' HE3' ' A' ' 30' ' ' LYS . 13.0 t70 -48.63 -54.67 13.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.251 1.42 . . . . 0.0 110.898 156.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.8 3.52 11.7 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.43 -71.01 0.47 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 152.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -36.71 -60.67 0.59 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.415 1.486 . . . . 0.0 112.554 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HZ1' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -53.31 -24.66 12.34 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.524 2.33 . . . . 0.0 115.526 -175.293 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.37 10.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.818 1.247 . . . . 0.0 110.204 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -37.4 59.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.562 1.145 . . . . 0.0 112.68 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' CG ' ' HZ1' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -25.95 -38.2 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 132.885 4.474 . . . . 0.0 115.466 164.618 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.09 52.26 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -10.78 54.44 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.465 1.106 . . . . 0.0 111.739 -177.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.17 -69.57 0.01 OUTLIER Glycine 0 C--N 1.341 0.839 0 CA-C-N 120.402 1.455 . . . . 0.0 114.377 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -152.6 -63.42 0.16 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -172.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.25 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 130.343 3.457 . . . . 0.0 107.451 -159.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.27 89.42 0.13 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.992 0.901 . . . . 0.0 109.724 156.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.95 122.54 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.032 3.333 . . . . 0.0 113.31 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.49 -179.65 5.63 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 127.623 2.369 . . . . 0.0 113.644 166.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -67.48 -35.23 78.77 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.329 -1.482 . . . . 0.0 112.645 -166.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -60.1 -55.65 31.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.069 0.947 . . . . 0.0 109.996 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.07 -51.77 49.95 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.119 1.368 . . . . 0.0 109.721 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.65 -67.76 0.3 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.343 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -57.46 -36.83 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 120.231 1.378 . . . . 0.0 113.172 -168.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.5 t -59.59 -48.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 0.0 110.721 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -80.25 -20.56 44.23 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.61 -45.27 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.43 1.014 . . . . 0.0 108.57 168.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.11 -17.25 24.73 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 168.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.33 18.12 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.279 -1.513 . . . . 0.0 111.701 166.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -45.4 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 127.161 2.185 . . . . 0.0 111.039 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -54.18 -42.37 69.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.806 1.185 . . . . 0.0 112.401 171.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 m -69.95 -31.04 68.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.505 0.722 . . . . 0.0 111.433 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 125.668 1.587 . . . . 0.0 114.32 173.652 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.433 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -154.17 -171.83 4.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 131.544 3.938 . . . . 0.0 107.33 -163.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.405 ' CD ' HH22 ' A' ' 17' ' ' ARG . 42.7 tt0 -60.69 -53.92 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.361 2.346 . . . . 0.0 112.012 169.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -55.78 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.513 1.925 . . . . 0.0 111.079 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 68.2 mt-10 -72.26 -30.92 65.32 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.586 -175.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.46 62.75 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.934 1.697 . . . . 0.0 111.964 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.11 81.73 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 109.992 163.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 44.9 mtm -58.61 -35.56 72.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 169.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.16 -32.2 2.42 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.151 -1.361 . . . . 0.0 113.181 164.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 20.6 mtt -85.87 -20.56 28.9 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.575 1.688 . . . . 0.0 114.728 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -28.66 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.209 1.368 . . . . 0.0 112.035 173.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.32 -38.17 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.358 146.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.45 -29.15 67.72 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 121.354 1.888 . . . . 0.0 114.776 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.95 -23.17 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 122.672 2.487 . . . . 0.0 110.92 165.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 9.5 t80 -97.78 -9.81 25.92 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 170.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -8.06 29.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.095 1.758 . . . . 0.0 112.445 170.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -55.9 -81.0 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.372 3.069 . . . . 0.0 110.366 154.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.39 -59.56 1.86 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.328 0.585 . . . . 0.0 111.971 -162.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 m . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.781 164.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.68 81.01 0.07 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 153.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -60.46 151.54 28.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.074 147.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -47.57 -36.83 11.19 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.793 2.037 . . . . 0.0 113.493 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -21.29 63.78 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.606 1.098 . . . . 0.0 114.847 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -80.45 -49.46 11.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.044 1.337 . . . . 0.0 109.907 171.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 tt -43.74 -60.91 1.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.948 2.099 . . . . 0.0 113.42 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -41.45 -52.2 3.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -164.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.38 -12.41 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.194 2.198 . . . . 0.0 114.12 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.06 -33.07 33.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.54 1.936 . . . . 0.0 111.174 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mmt -81.88 -27.26 33.56 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.322 0.649 . . . . 0.0 111.599 -166.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.59 -28.19 44.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.863 1.665 . . . . 0.0 112.528 164.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -102.23 -59.24 1.74 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 126.127 1.771 . . . . 0.0 109.801 -166.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -99.17 -18.54 17.61 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -164.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.335 0.0 OUTLIER -140.98 56.12 6.23 Favored Pre-proline 0 CA--C 1.563 1.444 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 164.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -44.72 -13.12 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 126.851 5.034 . . . . 0.0 120.433 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.59 -25.08 68.55 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 121.247 1.84 . . . . 0.0 113.706 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -74.4 -7.89 54.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.256 1.028 . . . . 0.0 113.662 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -5.0 59.28 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.084 1.354 . . . . 0.0 113.13 -172.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.42 -30.77 61.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.164 1.386 . . . . 0.0 111.216 156.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -60.76 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.832 2.053 . . . . 0.0 110.482 166.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.49 8.23 2.55 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 163.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 123.15 120.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 1 C-N-CA 133.775 4.83 . . . . 0.0 111.104 174.368 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' B' ' 52' ' ' ASP . 36.7 t70 -144.29 24.02 1.62 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 0.0 111.663 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER 58.95 -30.08 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 O-C-N 119.345 -2.097 . . . . 0.0 115.39 -159.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' B' ' 50' ' ' ASP . 14.9 m-20 -112.17 -5.46 14.22 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 131.159 3.783 . . . . 0.0 112.953 173.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.8 165.71 14.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.194 0.998 . . . . 0.0 109.097 160.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 59.2 -50.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.157 0.983 . . . . 0.0 110.463 -141.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.31 -33.56 42.94 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 127.502 2.321 . . . . 0.0 115.641 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -92.02 -5.47 52.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 121.224 1.829 . . . . 0.0 112.387 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.87 6.77 46.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.845 1.258 . . . . 0.0 109.552 159.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.25 -72.95 0.7 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.08 2.552 . . . . 0.0 108.791 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -41.85 -33.28 0.5 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 130.236 3.414 . . . . 0.0 115.425 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -20.89 59.96 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.009 1.724 . . . . 0.0 114.697 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.13 -28.88 4.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.183 2.593 . . . . 0.0 112.397 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.97 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.54 1 C-N-CA 132.683 4.393 . . . . 0.0 114.683 156.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.88 -33.28 0.19 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.07 1.748 . . . . 0.0 113.654 157.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.44 -25.12 61.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.868 2.067 . . . . 0.0 116.035 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.15 34.57 0.08 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.76 1.864 . . . . 0.0 117.76 -165.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 50.55 0.67 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 130.941 3.696 . . . . 0.0 118.573 169.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 175.98 -11.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 129.509 3.124 . . . . 0.0 112.12 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -112.52 104.85 12.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.449 1.1 . . . . 0.0 109.366 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -88.03 119.75 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 129.115 2.966 . . . . 0.0 111.604 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.68 171.93 13.49 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.265 1.426 . . . . 0.0 114.124 162.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -54.18 -57.84 9.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.632 2.373 . . . . 0.0 114.092 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -61.0 -24.38 66.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.424 1.889 . . . . 0.0 112.754 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.29 -50.87 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 128.588 2.755 . . . . 0.0 108.956 -169.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -45.5 -55.35 6.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.179 156.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.266 0.4 OUTLIER -58.43 -36.9 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -47.86 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.812 1.642 . . . . 0.0 110.156 169.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.69 -27.65 58.35 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.49 -48.24 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.125 -0.985 . . . . 0.0 108.556 170.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.09 -5.59 2.35 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 168.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.71 -43.5 9.55 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.677 1.126 . . . . 0.0 111.866 160.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.5 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 128.373 2.669 . . . . 0.0 111.791 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -50.54 -61.62 2.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.678 0.672 . . . . 0.0 111.452 168.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 27.7 p -58.67 -29.19 66.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.437 1.495 . . . . 0.0 113.636 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.131 1.372 . . . . 0.0 110.361 173.073 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -159.42 -167.71 2.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.526 3.13 . . . . 0.0 107.341 -164.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.25 -55.94 28.46 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 122.265 2.302 . . . . 0.0 111.374 165.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.32 -47.36 81.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.926 2.091 . . . . 0.0 112.464 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -86.19 -21.78 27.3 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.115 -172.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.45 69.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.362 1.437 . . . . 0.0 109.638 162.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -55.59 23.74 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.568 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.319 1.2 ttt -69.59 -23.53 63.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.901 1.682 . . . . 0.0 114.226 174.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.83 -47.81 7.66 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 117.732 -1.594 . . . . 0.0 112.877 156.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 44.9 mtt -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.357 2.078 . . . . 0.0 113.809 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -26.82 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.598 1.09 . . . . 0.0 112.494 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.76 -24.52 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 118.067 0.394 . . . . 0.0 111.006 158.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.99 -43.12 30.54 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 120.398 -1.439 . . . . 0.0 113.287 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -59.9 -27.72 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.937 1.699 . . . . 0.0 111.988 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.24 -50.31 48.31 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.279 0.632 . . . . 0.0 110.597 165.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' N ' ' A' ' 21' ' ' SER . 15.4 m -56.96 -23.11 43.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.176 1.79 . . . . 0.0 115.109 174.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -65.07 0.73 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.848 1.659 . . . . 0.0 110.774 161.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -88.78 -46.45 8.97 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 -163.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 -4.41 58.09 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.941 1.246 . . . . 0.0 112.814 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.44 32.0 67.67 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 120.802 -1.186 . . . . 0.0 112.254 -165.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.4 ' N ' ' HA ' ' A' ' 16' ' ' SER . 7.5 m . . . . . 0 N--CA 1.465 0.301 0 C-N-CA 129.561 3.144 . . . . 0.0 107.882 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 121.027 3.714 . . . . 0.0 121.027 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.45 78.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.046 1.739 . . . . 0.0 109.513 157.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 152.99 12.52 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 148.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -43.43 -33.68 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.582 2.353 . . . . 0.0 113.027 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -21.28 56.72 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.938 1.256 . . . . 0.0 115.405 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -87.29 -48.6 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.243 1.521 . . . . 0.0 109.749 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tt -41.59 -45.13 3.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 128.284 2.634 . . . . 0.0 113.159 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -60.76 -34.3 74.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t -74.88 -36.46 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.768 0.827 . . . . 0.0 110.706 -172.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.27 -47.72 78.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.796 2.038 . . . . 0.0 111.611 164.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mmm -67.63 -27.51 66.94 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -166.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -62.03 -25.38 67.63 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.949 1.25 . . . . 0.0 112.262 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -105.61 -50.79 3.13 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 126.233 1.813 . . . . 0.0 109.729 -167.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.89 -12.19 14.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 113.344 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.99 29.76 0.18 Allowed Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.533 1.533 . . . . 0.0 114.623 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.48 136.17 74.3 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 122.26 1.843 . . . . 0.0 111.746 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.98 -36.39 4.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.473 -1.182 . . . . 0.0 112.579 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -62.94 -24.44 67.87 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.113 1.957 . . . . 0.0 110.738 162.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.44 -0.07 9.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.495 1.518 . . . . 0.0 114.86 173.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.53 -16.12 54.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.315 0.962 . . . . 0.0 112.129 158.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -102.79 -59.7 1.66 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.046 1.338 . . . . 0.0 110.609 159.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' C ' ' HE3' ' A' ' 49' ' ' LYS . . . 75.76 -14.13 6.14 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 117.291 -1.838 . . . . 0.0 116.334 175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE3' ' C ' ' A' ' 48' ' ' GLY 0.348 0.0 OUTLIER 146.46 97.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 1 C-N-CA 132.49 4.316 . . . . 0.0 112.164 171.878 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 52' ' ' ASP . 62.9 m-20 -115.12 23.94 12.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.385 1.074 . . . . 0.0 111.346 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.272 3.0 tmtt? 59.91 -12.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.179 1.792 . . . . 0.0 114.258 -163.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 50' ' ' ASP . 74.9 m-20 -114.76 14.52 17.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.3 1.84 . . . . 0.0 113.388 169.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.67 172.48 13.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.973 1.309 . . . . 0.0 109.579 152.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t 58.51 -55.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.507 -157.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -50.85 -47.32 60.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.259 1.823 . . . . 0.0 112.11 164.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -77.56 -30.91 52.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -3.35 3.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.959 1.704 . . . . 0.0 111.351 169.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -111.53 -55.67 2.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.092 2.957 . . . . 0.0 110.387 167.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -58.24 -27.68 64.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 116.846 -1.549 . . . . 0.0 114.642 -172.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -75.52 -11.65 60.07 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.346 1.029 . . . . 0.0 113.026 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.81 -31.4 1.17 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.935 1.294 . . . . 0.0 114.207 -171.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -19.08 -43.61 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 129.382 3.073 . . . . 0.0 114.685 151.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -22.5 8.29 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -18.73 32.75 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.346 1.458 . . . . 0.0 111.641 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.24 -73.53 0.03 OUTLIER Glycine 0 CA--C 1.527 0.838 0 CA-C-N 120.164 1.347 . . . . 0.0 114.373 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -151.11 -61.04 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -169.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.05 -54.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 130.584 3.554 . . . . 0.0 107.362 -154.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -62.79 93.28 0.05 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.82 157.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.8 124.35 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.267 2.227 . . . . 0.0 113.21 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.14 179.42 5.07 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 128.418 2.687 . . . . 0.0 112.975 167.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -72.25 -32.23 66.49 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.349 -1.469 . . . . 0.0 113.302 -162.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 t -56.93 -55.43 34.66 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.648 0.779 . . . . 0.0 109.927 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.61 -50.34 70.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 109.893 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.72 -56.46 19.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.736 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.8 tp -62.93 -33.56 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.063 1.301 . . . . 0.0 112.804 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.24 -51.46 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.124 0.97 . . . . 0.0 111.035 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -57.9 -43.57 86.22 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.936 0.789 . . . . 0.0 112.705 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.14 -48.64 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.679 1.992 . . . . 0.0 110.743 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.56 36.26 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.52 -41.74 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.719 1.145 . . . . 0.0 111.888 160.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.2 mm -50.7 -45.61 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.495 1.918 . . . . 0.0 112.528 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -54.4 -11.36 0.51 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 171.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -106.96 -44.58 4.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.287 1.435 . . . . 0.0 110.853 166.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 126.83 2.052 . . . . 0.0 114.79 -178.071 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -148.72 -172.02 4.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 131.237 3.815 . . . . 0.0 106.672 -174.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.36 -53.68 54.75 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 123.367 2.803 . . . . 0.0 110.114 167.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -46.76 84.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.193 0.597 . . . . 0.0 111.579 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -74.31 -33.45 63.19 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.748 -1.12 . . . . 0.0 112.239 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.28 -23.64 54.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.826 1.648 . . . . 0.0 112.188 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.27 91.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.211 0.914 . . . . 0.0 111.053 165.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.92 -28.24 68.78 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 0.0 113.372 163.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.73 39.31 Favored Glycine 0 C--O 1.217 -0.908 0 CA-C-O 117.765 -1.575 . . . . 0.0 111.613 160.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -65.23 -32.11 73.61 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.061 1.931 . . . . 0.0 112.779 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -71.62 -49.79 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.298 -0.876 . . . . 0.0 110.833 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.87 -33.22 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.593 1.557 . . . . 0.0 110.53 170.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.78 -38.78 73.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.865 1.266 . . . . 0.0 112.808 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -61.14 -32.8 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.945 1.248 . . . . 0.0 111.199 168.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 35.1 t80 -65.18 -50.16 67.02 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.163 -0.961 . . . . 0.0 111.029 163.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -66.52 -2.06 4.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.945 2.098 . . . . 0.0 116.264 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -54.72 11.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.631 1.972 . . . . 0.0 109.569 160.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.15 -68.96 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.454 1.502 . . . . 0.0 110.761 -165.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.456 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 43.9 m . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 119.668 3.21 . . . . 0.0 119.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.94 77.23 0.22 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 160.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -60.45 153.76 22.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 149.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -51.53 -27.31 10.39 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.219 1.808 . . . . 0.0 113.129 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.09 -24.89 53.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.779 1.181 . . . . 0.0 115.088 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.64 -45.88 12.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.073 1.436 . . . . 0.0 109.932 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.72 -33.38 61.0 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.15 1.78 . . . . 0.0 114.409 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -59.63 -48.57 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.51 -1.369 . . . . 0.0 113.614 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.23 -11.04 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.457 1.903 . . . . 0.0 112.269 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.39 -40.17 62.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 111.594 162.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' MET . . . . . 0.493 ' C ' ' H ' ' B' ' 39' ' ' LYS . 3.4 mmm -67.77 -48.02 67.57 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.532 1.06 . . . . 0.0 112.434 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.84 7.19 0.13 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.486 2.714 . . . . 0.0 114.213 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' B' ' 37' ' ' MET . 3.8 tptt -147.18 -56.83 0.25 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 129.363 3.065 . . . . 0.0 108.938 -158.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.18 -13.33 15.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.0 39.41 0.48 Allowed Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -35.59 131.85 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.829 3.02 . . . . 0.0 116.287 162.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -32.4 7.41 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.562 1.553 . . . . 0.0 113.732 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.52 -17.42 62.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.83 1.315 . . . . 0.0 111.593 161.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -68.14 -3.76 11.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.497 1.919 . . . . 0.0 113.942 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -53.59 -26.67 22.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.442 1.097 . . . . 0.0 112.844 163.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.81 -32.91 8.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.991 1.316 . . . . 0.0 112.615 169.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.77 0.69 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.429 1.966 . . . . 0.0 116.103 167.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.72 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.222 1.809 . . . . 0.0 113.059 168.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 p30 41.41 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 131.632 3.973 . . . . 0.0 119.205 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER 71.89 -7.01 1.35 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.962 2.505 . . . . 0.0 114.282 -174.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 -12.32 8.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.954 1.702 . . . . 0.0 114.808 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 -46.26 4.36 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.561 1.528 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.11 -31.25 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 161.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.51 -22.57 62.62 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.092 1.757 . . . . 0.0 114.412 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.88 -34.3 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.558 1.527 . . . . 0.0 110.662 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.44 -9.25 23.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.124 0.57 . . . . 0.0 112.233 158.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -85.96 -73.79 0.44 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.985 1.314 . . . . 0.0 109.796 159.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -47.49 -35.35 8.61 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.423 3.489 . . . . 0.0 115.454 -168.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.43 -53.57 55.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.375 0.67 . . . . 0.0 111.786 171.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -46.47 12.03 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.904 1.681 . . . . 0.0 112.059 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -29.02 -37.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 131.583 3.953 . . . . 0.0 114.936 168.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.97 -24.8 7.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.575 1.55 . . . . 0.0 115.101 171.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -6.24 58.45 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.654 1.982 . . . . 0.0 111.473 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.23 -72.13 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 CA-C-N 120.074 1.306 . . . . 0.0 114.832 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.34 -60.82 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.415 1.086 . . . . 0.0 111.786 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 149.53 -46.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 130.531 3.532 . . . . 0.0 109.298 -158.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -63.5 89.79 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.391 0.677 . . . . 0.0 110.497 157.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.03 114.96 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.816 1.646 . . . . 0.0 113.187 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.69 167.85 18.98 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.909 2.483 . . . . 0.0 113.649 166.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -62.77 -33.99 76.31 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.909 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -61.9 -46.05 91.08 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.734 1.152 . . . . 0.0 111.232 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.74 -52.31 66.22 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.133 1.373 . . . . 0.0 109.929 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.24 -60.2 3.97 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.388 0.675 . . . . 0.0 112.256 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.5 tp -57.3 -40.23 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.596 1.089 . . . . 0.0 112.837 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.13 -47.52 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.44 0.696 . . . . 0.0 111.081 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.13 -14.94 54.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.2 -34.22 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 120.139 1.336 . . . . 0.0 109.424 162.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 0.3 7.55 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 166.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 -47.5 5.84 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.535 1.061 . . . . 0.0 110.315 158.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -31.16 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.451 1.9 . . . . 0.0 111.183 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.23 -24.53 28.01 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.594 1.558 . . . . 0.0 114.118 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 81.1 p -89.45 -43.37 10.9 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.521 1.528 . . . . 0.0 110.816 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.572 0 O-C-N 121.271 -0.893 . . . . 0.0 112.858 173.318 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.45 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 24.9 ttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.3 p -149.67 -175.28 4.96 Favored 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.525 4.33 . . . . 0.0 106.746 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.53 -29.18 58.45 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 123.323 2.783 . . . . 0.0 111.861 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.45 -42.37 6.98 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 126.45 1.9 . . . . 0.0 109.992 -166.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.3 mt-10 -67.7 -17.82 64.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.356 162.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 -31.95 25.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.681 1.582 . . . . 0.0 112.328 167.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.94 88.65 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.118 1.326 . . . . 0.0 110.779 163.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.7 mtm -64.47 -35.2 80.17 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 165.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.54 -36.06 17.18 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 117.598 -1.668 . . . . 0.0 112.69 164.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.8 mtt -73.16 -18.67 61.25 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.106 1.953 . . . . 0.0 113.406 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.321 0.2 OUTLIER -111.03 -21.31 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.724 1.147 . . . . 0.0 113.493 -176.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -63.09 -36.86 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 110.271 145.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.75 -51.01 68.81 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 116.802 -1.571 . . . . 0.0 109.841 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.31 -50.23 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 120.936 1.698 . . . . 0.0 111.481 171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.41 -43.63 83.89 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.651 1.114 . . . . 0.0 113.866 170.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 m -67.03 -14.5 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.767 2.027 . . . . 0.0 113.518 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mtm-85 -89.85 -43.31 10.71 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.952 1.701 . . . . 0.0 110.957 169.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.32 -23.28 15.69 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -168.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 p -82.71 -22.7 34.38 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.67 0.388 . . . . 0.0 111.652 148.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.61 -5.96 48.97 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.205 1.383 . . . . 0.0 115.655 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.481 1.1 1 C-N-CA 132.042 4.137 . . . . 0.0 106.784 -164.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.26 125.09 47.25 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.002 1.273 . . . . 0.0 111.566 162.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -70.68 158.28 36.51 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.303 1.049 . . . . 0.0 111.609 156.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -50.84 -33.05 22.15 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.065 2.546 . . . . 0.0 114.079 -175.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -93.62 -20.05 32.99 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.494 1.045 . . . . 0.0 115.256 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -74.7 -42.95 57.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.083 1.353 . . . . 0.0 109.309 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.79 -50.42 60.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.522 2.329 . . . . 0.0 113.649 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -29.94 70.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -164.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -61.34 -27.49 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.224 0.92 . . . . 0.0 112.605 -173.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.0 -39.33 69.31 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.561 1.945 . . . . 0.0 112.435 174.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtt -79.62 -16.02 56.58 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.886 -0.509 . . . . 0.0 112.114 -157.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -59.54 -32.23 70.14 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.324 1.049 . . . . 0.0 112.154 161.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -100.0 -54.85 2.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.71 2.004 . . . . 0.0 109.922 -167.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -102.87 -19.37 14.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.466 1.106 . . . . 0.0 113.57 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -134.17 45.53 1.57 Allowed Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.45 153.65 40.12 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 121.408 1.539 . . . . 0.0 112.133 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 -34.38 4.99 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.518 1.056 . . . . 0.0 112.963 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -74.14 -7.25 51.94 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.967 1.383 . . . . 0.0 112.095 164.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -0.94 57.64 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.683 2.393 . . . . 0.0 114.327 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -68.09 -15.73 63.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.93 0.787 . . . . 0.0 112.004 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 49' ' ' LYS . 1.4 t -94.32 -55.79 3.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.732 1.613 . . . . 0.0 110.66 156.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.21 -23.11 0.2 Allowed Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.328 1.918 . . . . 0.0 116.029 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 47' ' ' SER . 11.3 tmtt? -159.43 -44.06 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.545 2.738 . . . . 0.0 110.925 157.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.259 0.6 OUTLIER 19.23 -72.31 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.144 3.778 . . . . 0.0 115.339 -163.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.0 -18.29 0.05 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 131.185 3.794 . . . . 0.0 110.478 158.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -109.42 -147.76 0.42 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 128.435 2.694 . . . . 0.0 110.311 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 41.39 -71.31 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 131.021 3.728 . . . . 0.0 117.24 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.3 -35.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.135 1.374 . . . . 0.0 110.899 163.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.13 -25.35 66.14 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 125.871 1.668 . . . . 0.0 114.253 169.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -94.77 -38.42 10.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.735 1.152 . . . . 0.0 110.836 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.29 -6.86 0.47 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.001 1.32 . . . . 0.0 113.524 157.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -99.23 -79.37 0.48 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.465 1.906 . . . . 0.0 109.443 159.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -39.88 14.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.406 2.282 . . . . 0.0 115.973 -170.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.333 0.969 . . . . 0.0 110.663 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.43 -43.43 8.75 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.319 1.847 . . . . 0.0 112.172 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -6.79 1.91 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.237 1.415 . . . . 0.0 113.274 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.59 -25.35 2.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.56 1.144 . . . . 0.0 113.479 159.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -80.01 -16.51 54.99 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.871 1.268 . . . . 0.0 113.723 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.21 -97.18 0.73 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.967 1.746 . . . . 0.0 112.332 -170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.8 -84.55 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.492 1.117 . . . . 0.0 110.329 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.8 25.91 1.42 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.019 1.727 . . . . 0.0 112.59 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -138.93 102.0 4.44 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.237 1.015 . . . . 0.0 112.293 168.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -65.14 109.47 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 128.555 2.742 . . . . 0.0 115.769 -166.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.24 164.93 24.7 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.202 1.401 . . . . 0.0 113.643 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -61.38 -33.57 73.88 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.719 -1.238 . . . . 0.0 113.694 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -60.4 -46.68 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.057 1.343 . . . . 0.0 110.099 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.47 -49.17 64.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 127.556 2.343 . . . . 0.0 108.493 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.17 -60.79 2.89 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 117.963 -1.017 . . . . 0.0 112.122 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.99 -41.79 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 120.054 1.297 . . . . 0.0 112.452 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.44 -50.85 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.877 0.871 . . . . 0.0 111.259 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -80.68 -16.61 53.51 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.32 -37.87 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 120.869 1.668 . . . . 0.0 109.675 163.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -9.77 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 169.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.79 -44.97 11.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 110.743 161.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.23 -44.55 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.956 2.103 . . . . 0.0 111.155 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t -51.59 -50.75 59.55 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.917 0.781 . . . . 0.0 111.271 170.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 p -68.85 -16.24 63.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.538 0 O-C-N 121.238 -0.914 . . . . 0.0 110.546 165.608 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -140.21 -110.15 0.15 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.466 1.106 . . . . 0.0 112.673 -160.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -123.39 -49.89 1.9 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.72 2.008 . . . . 0.0 107.508 157.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.85 -58.43 4.38 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.444 1.097 . . . . 0.0 111.312 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.415 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 88.6 mt-10 -72.35 -31.37 65.57 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.181 -0.949 . . . . 0.0 112.021 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.85 -34.59 51.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.117 0.871 . . . . 0.0 112.83 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.42 79.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.619 160.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . 0.255 1.3 ttt -66.92 -25.3 66.3 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 170.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.48 -30.18 33.23 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.913 1.245 . . . . 0.0 113.673 160.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 33.1 mtt -82.96 -13.38 56.11 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.698 1.999 . . . . 0.0 114.244 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.289 0.0 OUTLIER -106.15 -23.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 120.24 1.382 . . . . 0.0 113.009 169.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.52 -29.34 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 118.821 0.737 . . . . 0.0 109.624 150.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.57 -22.09 66.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.73 -37.09 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.804 1.184 . . . . 0.0 110.55 167.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.09 -1.65 40.97 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.478 1.111 . . . . 0.0 113.027 168.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -101.32 -7.94 22.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.19 1.396 . . . . 0.0 112.818 165.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -71.59 0.44 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.968 1.707 . . . . 0.0 111.181 175.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -83.28 -85.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.31 0.504 . . . . 0.0 110.686 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 125.038 1.335 . . . . 0.0 113.163 -178.034 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mp -83.13 106.21 14.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.647 1.112 . . . . 0.0 108.713 158.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -78.0 153.95 31.93 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.338 -0.851 . . . . 0.0 110.614 157.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -51.41 -38.14 52.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.276 1.83 . . . . 0.0 113.127 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.47 -17.19 80.13 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.481 -1.177 . . . . 0.0 114.681 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -97.36 -44.18 6.99 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.094 1.447 . . . . 0.0 110.028 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -39.79 -52.87 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 128.858 2.863 . . . . 0.0 112.704 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -49.26 -41.39 37.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -69.69 -28.18 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.484 1.114 . . . . 0.0 111.804 -171.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -70.54 -43.81 68.78 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.199 2.199 . . . . 0.0 110.827 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 32.1 mmt -61.79 -36.3 80.67 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.933 0.893 . . . . 0.0 112.569 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.47 -33.95 46.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.97 1.308 . . . . 0.0 112.819 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.82 -43.29 6.81 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.069 1.748 . . . . 0.0 109.802 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -110.04 -17.16 13.65 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.131 0.973 . . . . 0.0 113.542 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -135.18 41.5 0.64 Allowed Pre-proline 0 CA--C 1.575 1.909 0 C-N-CA 127.32 2.248 . . . . 0.0 114.723 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -46.65 -17.93 0.44 Allowed 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 124.498 3.465 . . . . 0.0 119.506 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.99 -16.16 80.87 Favored Glycine 0 N--CA 1.471 0.97 0 O-C-N 120.392 -1.443 . . . . 0.0 114.978 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -98.76 -8.21 26.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -6.8 56.78 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.553 1.941 . . . . 0.0 113.486 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -66.77 -23.25 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.251 168.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.84 -49.77 6.62 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.455 1.502 . . . . 0.0 111.292 158.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.69 -47.75 3.34 Favored Glycine 0 N--CA 1.469 0.889 0 CA-C-O 118.241 -1.311 . . . . 0.0 115.022 170.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER 146.29 101.06 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 1 C-N-CA 132.848 4.459 . . . . 0.0 112.687 166.317 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.68 68.61 1.5 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 157.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER 46.57 5.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.827 2.851 . . . . 0.0 116.467 -168.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 30.8 p-10 -83.42 -80.0 0.19 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.929 2.492 . . . . 0.0 110.589 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.411 ' H ' ' CG ' ' B' ' 52' ' ' ASP . . . -100.42 -176.78 3.31 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.336 1.454 . . . . 0.0 110.248 171.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t 60.26 -55.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.639 1.576 . . . . 0.0 110.599 -151.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -49.71 -44.98 48.61 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.525 1.93 . . . . 0.0 112.093 163.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -10.97 54.46 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.997 1.272 . . . . 0.0 114.19 175.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.62 3.25 25.91 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.339 -0.851 . . . . 0.0 110.665 161.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.51 -70.13 0.82 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.043 2.137 . . . . 0.0 109.578 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -38.11 3.77 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 129.106 2.963 . . . . 0.0 115.181 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -41.66 96.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.332 1.453 . . . . 0.0 112.906 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.2 -39.88 8.65 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.999 2.12 . . . . 0.0 112.881 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.12 -34.66 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 1 C-N-CA 131.869 4.067 . . . . 0.0 113.843 163.254 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.78 -28.82 1.66 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.275 1.83 . . . . 0.0 115.423 170.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -82.71 -20.1 36.72 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.49 1.041 . . . . 0.0 112.571 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.39 -86.01 0.58 Allowed Glycine 0 C--N 1.342 0.872 0 C-N-CA 124.127 0.87 . . . . 0.0 112.734 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -161.73 -41.44 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.834 1.654 . . . . 0.0 112.035 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 169.32 -39.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 131.115 3.766 . . . . 0.0 110.156 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.73 93.42 3.11 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.534 1.159 . . . . 0.0 110.399 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.08 108.43 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 128.052 2.541 . . . . 0.0 112.548 -171.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.01 165.29 11.22 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.833 0.853 . . . . 0.0 112.6 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -56.43 -32.53 64.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 112.41 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -63.7 -52.53 60.15 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.079 1.352 . . . . 0.0 110.089 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.53 -46.27 89.17 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.891 1.676 . . . . 0.0 109.33 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.16 -62.9 1.36 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.086 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 6.8 tp -59.73 -39.07 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 119.715 1.143 . . . . 0.0 113.007 -174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.01 -47.94 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.45 1.1 . . . . 0.0 111.637 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -89.89 -14.84 33.39 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -55.23 -46.19 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 120.016 1.28 . . . . 0.0 108.941 160.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.53 30.39 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.87 16.47 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.855 1.207 . . . . 0.0 111.995 166.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -47.69 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 127.332 2.253 . . . . 0.0 110.503 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -51.31 -54.22 28.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.538 170.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -53.63 -47.99 69.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.177 0.899 . . . . 0.0 111.38 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.493 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.7 p -146.79 -165.45 2.24 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.039 2.936 . . . . 0.0 109.471 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -54.33 -59.71 4.31 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.753 2.07 . . . . 0.0 110.145 165.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 tt -42.79 -67.48 0.27 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 128.026 2.531 . . . . 0.0 111.121 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 56.3 mt-10 -74.51 -32.72 62.59 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.44 -166.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.11 -38.95 51.17 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 119.82 1.191 . . . . 0.0 111.451 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.21 80.55 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 117.722 -1.132 . . . . 0.0 110.329 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.335 1.3 ttt -75.52 -2.04 27.1 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.42 62.26 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 118.008 -1.44 . . . . 0.0 112.219 154.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.4 mtp -62.03 -37.42 84.85 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.418 2.109 . . . . 0.0 113.547 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -16.52 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.845 -1.159 . . . . 0.0 112.863 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.32 -36.45 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.803 1.183 . . . . 0.0 110.191 155.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.44 -36.83 66.96 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 119.675 1.125 . . . . 0.0 111.432 173.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -34.15 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 121.254 1.843 . . . . 0.0 113.296 172.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.44 -39.07 85.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.557 0.743 . . . . 0.0 110.45 170.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -26.54 68.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.816 1.647 . . . . 0.0 114.316 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -75.19 -56.71 4.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.271 1.396 . . . . 0.0 110.563 169.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.87 -19.11 13.63 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -161.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 p -82.32 -24.74 34.46 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.449 1.477 . . . . 0.0 109.484 148.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.23 62.99 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 120.637 -1.289 . . . . 0.0 114.885 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.483 1.224 1 C-N-CA 132.085 4.154 . . . . 0.0 108.248 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.677 -1.154 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.67 106.54 18.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.536 1.534 . . . . 0.0 109.589 161.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -71.1 160.39 32.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.664 0.665 . . . . 0.0 110.858 160.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -49.85 -39.74 40.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.401 1.48 . . . . 0.0 112.276 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.48 81.1 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.191 1.377 . . . . 0.0 115.626 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -102.94 -50.35 3.54 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.959 2.504 . . . . 0.0 108.725 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tt -42.64 -40.89 2.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.966 2.907 . . . . 0.0 113.151 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -59.25 -36.19 75.06 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.83 -32.33 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.453 1.101 . . . . 0.0 111.498 -169.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.35 -34.03 77.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.698 3.199 . . . . 0.0 112.397 170.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 mmt -79.85 -32.6 40.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 113.037 -161.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.83 -23.42 65.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.21 1.004 . . . . 0.0 112.596 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -107.5 -55.16 2.38 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.461 1.904 . . . . 0.0 109.906 -164.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -109.58 -8.29 15.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.665 1.186 . . . . 0.0 113.337 -168.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.36 32.29 0.22 Allowed Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 168.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -46.96 117.55 2.24 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.57 2.18 . . . . 0.0 113.611 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.5 -39.77 1.73 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.203 1.382 . . . . 0.0 113.244 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.88 -19.15 65.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.332 1.566 . . . . 0.0 111.629 161.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -8.77 9.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.956 2.503 . . . . 0.0 113.855 168.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.38 -20.06 65.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.376 0.989 . . . . 0.0 112.464 162.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -111.73 -47.05 3.18 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.385 1.074 . . . . 0.0 110.311 167.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.53 -31.37 0.22 Allowed Glycine 0 N--CA 1.473 1.141 0 C-N-CA 126.594 2.045 . . . . 0.0 117.858 161.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 -74.54 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.004 2.122 . . . . 0.0 109.438 167.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 53.87 -76.78 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.329 1.852 . . . . 0.0 111.584 -165.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HZ1' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER 172.57 -26.65 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 1 C-N-CA 134.408 5.083 . . . . 0.0 109.56 172.847 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -103.26 1.44 32.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.204 2.602 . . . . 0.0 113.752 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.47 165.61 12.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.288 1.404 . . . . 0.0 110.406 162.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t 60.41 -49.75 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.619 1.168 . . . . 0.0 110.138 -149.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.83 -40.12 20.33 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.216 3.006 . . . . 0.0 115.065 163.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -93.86 -9.21 38.05 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.003 1.274 . . . . 0.0 112.896 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.41 4.78 26.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.75 0.82 . . . . 0.0 110.602 160.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.06 -68.37 0.92 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.958 2.903 . . . . 0.0 108.674 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -31.39 10.26 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.637 2.775 . . . . 0.0 115.287 -176.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.29 -43.56 94.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.241 1.016 . . . . 0.0 112.037 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -43.28 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.824 1.649 . . . . 0.0 112.402 -174.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -24.34 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.763 4.425 . . . . 0.0 115.787 167.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.16 6.37 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.12 -8.66 57.7 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.169 1.788 . . . . 0.0 111.832 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.39 -70.75 0.01 OUTLIER Glycine 0 C--N 1.343 0.945 0 CA-C-N 120.626 1.557 . . . . 0.0 114.672 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -155.64 -63.07 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 148.2 -51.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.801 3.241 . . . . 0.0 108.419 -156.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.28 93.2 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 154.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.29 106.61 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.835 2.454 . . . . 0.0 112.099 -166.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 165.88 4.98 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.782 2.033 . . . . 0.0 113.327 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -60.66 -33.37 72.71 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.505 1.122 . . . . 0.0 112.475 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.2 p -65.28 -54.83 23.36 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.849 0.86 . . . . 0.0 110.551 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.98 -50.76 45.8 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.436 1.494 . . . . 0.0 110.264 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 78' ' ' VAL . 40.4 t80 -57.26 -64.01 1.03 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.984 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.51 -34.53 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.208 1.367 . . . . 0.0 113.419 -174.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -49.59 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.754 0.822 . . . . 0.0 111.316 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -82.78 -16.67 46.96 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 74' ' ' PHE . 37.4 t -56.91 -48.75 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.49 1.041 . . . . 0.0 109.481 161.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.98 -12.11 4.19 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -40.08 13.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.166 1.348 . . . . 0.0 111.999 163.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.59 -41.27 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 127.657 2.383 . . . . 0.0 112.556 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.4 t -60.69 -7.67 2.41 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.8 p -113.22 -29.73 7.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.785 1.634 . . . . 0.0 112.082 167.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -168.413 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 29.9 p -78.75 -173.62 3.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.336 3.455 . . . . 0.0 112.803 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.28 -49.33 64.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.987 1.721 . . . . 0.0 110.088 170.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -87.51 -26.1 23.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -172.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.425 ' HB2' ' H ' ' B' ' 2' ' ' THR . 96.7 mt-10 -71.38 -26.32 62.74 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.608 163.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.62 60.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.846 1.657 . . . . 0.0 111.828 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.4 81.64 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.729 0.695 . . . . 0.0 110.079 163.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.71 -32.07 73.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.05 -53.94 5.38 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-O 117.825 -1.542 . . . . 0.0 110.347 159.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 70.2 mtp -56.74 -44.42 81.66 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.773 1.787 . . . . 0.0 113.778 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.304 0.0 OUTLIER -79.38 -22.19 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 121.015 1.734 . . . . 0.0 115.376 178.351 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.05 -27.82 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.253 0.933 . . . . 0.0 110.18 160.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -85.23 -32.59 22.53 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.936 1.294 . . . . 0.0 113.56 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.16 -24.56 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 121.282 1.855 . . . . 0.0 111.715 163.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -78.82 -38.3 38.52 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.446 -0.784 . . . . 0.0 111.432 166.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -72.94 0.63 10.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.864 1.666 . . . . 0.0 114.905 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -59.92 2.54 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.552 1.941 . . . . 0.0 108.963 158.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -100.84 -20.85 15.32 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -162.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.473 0.694 0 O-C-N 121.169 -0.957 . . . . 0.0 112.228 154.505 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.482 0.658 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mp -86.56 104.39 15.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.422 1.489 . . . . 0.0 108.662 153.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -72.08 153.78 41.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 155.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -46.68 -37.72 8.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.02 2.128 . . . . 0.0 113.199 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.28 -21.77 69.41 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.859 -0.967 . . . . 0.0 114.962 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -84.59 -53.16 5.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.849 1.26 . . . . 0.0 109.106 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tt -37.6 -45.4 0.76 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 128.357 2.663 . . . . 0.0 113.141 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -53.63 -40.48 65.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.829 1.195 . . . . 0.0 114.12 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 t -72.02 -29.98 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.997 0.817 . . . . 0.0 111.563 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.21 -38.06 89.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.407 2.283 . . . . 0.0 112.237 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 18.5 mmt -66.04 -37.19 85.23 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.066 0.848 . . . . 0.0 112.032 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -52.99 -30.05 32.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.476 1.11 . . . . 0.0 113.019 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -97.97 -46.09 6.03 Favored 'General case' 0 C--O 1.227 -0.124 0 C-N-CA 126.583 1.953 . . . . 0.0 110.305 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -120.67 -9.36 9.37 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -163.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.31 58.97 23.71 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 119.455 1.025 . . . . 0.0 111.918 155.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 165.15 2.03 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.076 2.517 . . . . 0.0 111.526 163.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.95 -47.9 1.95 Allowed Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.796 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.42 -26.11 62.92 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.73 2.265 . . . . 0.0 111.264 167.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -2.81 0.16 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.149 2.179 . . . . 0.0 114.008 167.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -53.44 -29.16 33.97 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.116 1.326 . . . . 0.0 112.667 159.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -91.73 -38.72 12.23 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.526 1.131 . . . . 0.0 112.629 166.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.51 -80.35 0.31 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.148 1.356 . . . . 0.0 111.619 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.97 119.34 4.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.912 1.285 . . . . 0.0 110.358 158.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -143.04 10.35 1.74 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.88 2.472 . . . . 0.0 111.445 -172.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.456 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP 0.379 0.0 OUTLIER 53.87 7.0 0.1 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.15 3.38 . . . . 0.0 116.478 -162.097 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.456 ' CG ' ' HZ3' ' B' ' 51' ' ' LYS . 33.2 m-20 -105.77 -16.54 14.64 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.09 1.356 . . . . 0.0 111.535 173.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.01 -177.14 4.25 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.086 2.555 . . . . 0.0 109.981 152.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 56.9 -58.77 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 126.964 2.106 . . . . 0.0 112.239 -156.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.32 -33.94 63.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.34 1.456 . . . . 0.0 112.371 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.69 -14.09 25.16 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -1.62 28.08 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.071 0.948 . . . . 0.0 110.088 162.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -113.74 -63.04 1.5 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.82 2.848 . . . . 0.0 110.045 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -29.75 10.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.383 1.873 . . . . 0.0 114.827 -172.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.77 -10.58 59.96 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.308 1.443 . . . . 0.0 114.23 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.78 -29.83 1.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.976 2.111 . . . . 0.0 113.088 -173.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . 0.255 2.5 t0 -42.62 -14.06 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 1 C-N-CA 132.292 4.237 . . . . 0.0 115.048 156.96 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.15 -28.27 0.28 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.219 1.407 . . . . 0.0 113.398 155.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.04 -47.22 87.39 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.82 2.448 . . . . 0.0 115.45 166.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.51 40.4 0.16 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -151.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p30 58.61 -30.52 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 131.519 3.928 . . . . 0.0 119.722 162.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.68 4.29 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.776 2.831 . . . . 0.0 113.887 168.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -128.35 99.6 5.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.557 1.543 . . . . 0.0 110.231 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 t -81.19 121.83 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.046 2.538 . . . . 0.0 112.102 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -73.63 164.81 26.15 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 120.422 1.465 . . . . 0.0 113.744 165.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -56.15 -43.23 78.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.374 1.869 . . . . 0.0 114.015 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -55.12 -31.52 61.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 112.3 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.18 -40.24 9.69 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -160.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -50.42 -48.14 56.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.252 153.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.307 1.4 tp -64.25 -32.44 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 120.666 1.575 . . . . 0.0 113.798 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.01 -46.49 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 120.213 1.369 . . . . 0.0 111.385 168.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.85 -47.48 84.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.562 0.619 . . . . 0.0 111.89 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.42 -31.58 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.155 0.582 . . . . 0.0 111.103 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.15 -2.59 31.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.11 -45.86 8.85 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.213 0.915 . . . . 0.0 110.734 153.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 mm -54.87 -38.27 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.142 1.777 . . . . 0.0 113.354 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.3 t -38.82 -31.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.002 1.721 . . . . 0.0 114.127 164.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 72.1 p -103.62 -47.69 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.962 2.105 . . . . 0.0 113.088 167.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -170.187 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -170.02 0.24 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.466 1.907 . . . . 0.0 113.199 162.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.96 -57.72 10.5 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.416 1.462 . . . . 0.0 113.109 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.96 -47.83 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.401 1.096 . . . . 0.0 110.499 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.53 -29.41 70.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.353 -0.842 . . . . 0.0 113.199 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -41.62 41.56 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.462 2.305 . . . . 0.0 112.246 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.28 -50.83 68.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.706 0.684 . . . . 0.0 111.194 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 15.3 mtm -59.66 -38.39 81.34 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 170.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.42 -46.71 11.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 118.25 -1.306 . . . . 0.0 113.407 165.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mtt -76.27 -19.93 57.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.243 1.522 . . . . 0.0 114.132 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -80.81 -45.15 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 119.99 1.268 . . . . 0.0 110.076 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.34 -39.89 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.312 1.445 . . . . 0.0 109.916 162.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.22 -55.82 27.77 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.93 -1.509 . . . . 0.0 111.695 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -45.61 -52.89 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 120.594 1.543 . . . . 0.0 110.332 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.25 -42.68 73.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 m -71.45 -6.11 37.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.634 1.974 . . . . 0.0 114.35 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -91.27 -41.04 11.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.39 1.476 . . . . 0.0 111.075 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -97.31 -45.95 6.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.776 0.83 . . . . 0.0 113.219 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 p -66.15 -20.57 66.18 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.432 -1.417 . . . . 0.0 110.609 155.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 -12.4 4.25 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.615 2.055 . . . . 0.0 116.529 160.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m 131.26 -66.03 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.75 1 C-N-CA 132.333 4.253 . . . . 0.0 106.922 -163.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -140.99 149.9 42.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.266 2.226 . . . . 0.0 108.666 164.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.81 20.31 0.68 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 123.985 0.802 . . . . 0.0 113.369 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.62 -20.86 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.023 1.729 . . . . 0.0 113.758 -157.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t 95.2 172.95 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.981 2.113 . . . . 0.0 108.161 -112.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.292 5.1 pt20 -88.52 65.21 7.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.36 -1.462 . . . . 0.0 112.576 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -143.13 159.48 42.21 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 126.205 1.802 . . . . 0.0 110.624 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.26 109.42 13.58 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 152.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -65.58 156.82 31.53 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.707 149.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -43.35 -40.1 3.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.168 2.187 . . . . 0.0 112.923 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.67 -18.64 78.8 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 118.327 -1.263 . . . . 0.0 114.976 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -86.48 -55.59 3.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.154 1.477 . . . . 0.0 109.245 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 tt -35.74 -39.81 0.16 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.438 2.695 . . . . 0.0 114.246 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -58.52 -37.97 76.75 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.722 1.147 . . . . 0.0 111.526 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.68 -42.17 98.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 130.75 3.62 . . . . 0.0 111.917 165.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.1 mmm -62.57 -47.61 83.08 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -59.71 -16.5 27.54 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.168 1.387 . . . . 0.0 112.984 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -108.25 -57.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 127.711 2.404 . . . . 0.0 108.638 -170.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.0 -9.29 16.27 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -129.52 42.6 0.92 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 125.878 1.671 . . . . 0.0 114.688 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.94 144.48 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.878 2.386 . . . . 0.0 114.851 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.35 -37.22 3.3 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.766 1.174 . . . . 0.0 113.627 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -70.6 -6.82 39.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.529 1.164 . . . . 0.0 112.03 165.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.45 9.95 5.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.958 2.903 . . . . 0.0 114.041 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -53.09 -32.39 46.95 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.525 1.057 . . . . 0.0 112.915 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -95.79 -27.57 15.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.628 1.171 . . . . 0.0 113.824 163.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -31.24 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.234 1.397 . . . . 0.0 114.978 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 -57.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.03 2.132 . . . . 0.0 113.779 162.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -7.13 44.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.27 4.628 . . . . 0.0 120.013 -159.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 17.61 1.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.792 1.637 . . . . 0.0 113.521 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -116.7 -39.35 3.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 113.098 -169.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.64 -31.81 3.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.718 1.607 . . . . 0.0 112.773 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t -53.03 -34.68 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.308 0.504 . . . . 0.0 110.093 154.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.84 -26.43 68.33 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 126.154 1.782 . . . . 0.0 114.504 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -93.93 -32.82 13.72 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.202 1.365 . . . . 0.0 111.67 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.08 -5.7 19.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.98 0.912 . . . . 0.0 111.462 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tp -93.52 -73.34 0.57 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.3 1.84 . . . . 0.0 109.895 160.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.56 -34.93 3.61 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.293 3.037 . . . . 0.0 115.774 -169.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m-20 -56.29 -52.55 64.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.633 1.173 . . . . 0.0 112.525 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -43.98 11.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.68 1.992 . . . . 0.0 112.498 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -29.25 -33.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 132.183 4.193 . . . . 0.0 115.566 167.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.89 -27.77 8.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.971 1.709 . . . . 0.0 115.029 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -6.87 58.57 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.516 1.926 . . . . 0.0 111.714 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.26 -92.5 0.27 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.07 1.319 . . . . 0.0 112.237 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -159.64 -38.78 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 153.9 -8.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 131.629 3.972 . . . . 0.0 112.598 -165.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -103.64 94.0 5.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.676 1.591 . . . . 0.0 108.078 159.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.9 104.97 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 128.128 2.571 . . . . 0.0 111.496 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.7 165.65 6.27 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.112 1.765 . . . . 0.0 112.896 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -58.37 -32.96 69.06 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.033 0.933 . . . . 0.0 111.911 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -60.81 -55.14 36.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.329 1.452 . . . . 0.0 110.075 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.82 -48.83 77.1 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.868 1.267 . . . . 0.0 109.7 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.62 -60.2 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.754 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp -58.46 -41.26 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.132 1.333 . . . . 0.0 112.085 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.3 t -57.59 -49.24 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.506 1.122 . . . . 0.0 110.273 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 11.1 m-85 -80.98 -12.03 59.45 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.74 -35.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 121.865 2.121 . . . . 0.0 110.189 164.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.99 -2.0 22.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 165.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.55 -36.81 10.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.555 -1.341 . . . . 0.0 111.835 163.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.87 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 129.275 3.03 . . . . 0.0 110.865 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t -46.15 -54.18 9.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.191 0.997 . . . . 0.0 112.571 164.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 86' ' ' HIS . 23.9 p -72.97 -7.55 51.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.809 1.644 . . . . 0.0 114.436 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.58 -57.32 2.92 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.901 1.28 . . . . 0.0 109.017 168.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -55.9 -38.59 70.41 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.848 0.859 . . . . 0.0 112.62 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -67.52 -9.82 45.9 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -34.85 78.68 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.492 1.496 . . . . 0.0 111.638 170.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -178.54 109.84 0.05 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 129.26 3.024 . . . . 0.0 107.423 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -96.25 -87.14 0.3 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -27.4 14.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.84 1.656 . . . . 0.0 111.219 159.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 -32.94 1.07 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.447 1.899 . . . . 0.0 115.085 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p 128.71 71.51 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 1 C-N-CA 132.044 4.138 . . . . 0.0 105.973 -157.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -22.78 -63.33 0.03 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 127.649 2.547 . . . . 0.0 117.11 -159.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.08 -3.53 13.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.589 1.556 . . . . 0.0 113.941 174.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 127.187 2.195 . . . . 0.0 110.589 -163.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 35.0 ttm . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -152.36 -170.02 3.52 Favored 'General case' 0 CA--C 1.547 0.834 1 C-N-CA 131.859 4.064 . . . . 0.0 105.908 -174.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.05 -49.59 67.12 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 122.935 2.607 . . . . 0.0 111.373 165.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.33 -42.44 66.75 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.157 1.383 . . . . 0.0 111.893 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 83.3 mt-10 -88.52 -7.91 55.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -41.17 35.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 120.788 1.631 . . . . 0.0 109.241 163.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.37 67.37 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.837 161.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.443 ' HA ' ' CD1' ' B' ' 11' ' ' ILE 0.345 0.0 OUTLIER -56.88 -37.24 71.09 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.374 1.443 . . . . 0.0 112.922 171.483 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.61 -52.26 5.44 Favored Glycine 0 C--O 1.218 -0.892 0 C-N-CA 126.107 1.813 . . . . 0.0 111.889 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -33.9 47.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.614 1.707 . . . . 0.0 114.557 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' B' ' 8' ' ' MET 0.282 0.0 OUTLIER -67.24 -38.01 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.052 1.751 . . . . 0.0 112.948 171.386 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.1 mm -69.75 -31.18 47.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-O 117.189 -1.386 . . . . 0.0 109.77 165.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . 0.266 25.1 t70 -57.17 -45.4 83.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.973 1.715 . . . . 0.0 111.319 -171.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.2 t -45.05 -38.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.836 1.198 . . . . 0.0 112.831 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -80.5 -32.36 36.99 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.185 2.194 . . . . 0.0 113.83 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -9.1 50.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.419 2.688 . . . . 0.0 114.0 163.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -94.27 -62.18 1.38 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.283 1.433 . . . . 0.0 111.129 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.479 ' C ' ' H ' ' B' ' 20' ' ' GLY . 1.5 m-85 -73.76 -72.89 0.24 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.0 p -63.59 19.98 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.47 1.908 . . . . 0.0 113.435 163.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' B' ' 18' ' ' TYR . . . -71.96 14.16 2.24 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 127.867 2.651 . . . . 0.0 117.718 -149.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.5 m -167.48 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.138 2.175 . . . . 0.0 106.679 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -148.55 160.52 43.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 129.731 3.212 . . . . 0.0 107.241 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.4 3.82 0.1 Allowed Glycine 0 CA--C 1.542 1.749 0 C-N-CA 126.678 2.085 . . . . 0.0 114.209 166.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.9 t -163.79 -15.29 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.138 1.375 . . . . 0.0 113.475 -151.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . 0.304 5.8 t 83.18 -163.4 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 120.652 -1.28 . . . . 0.0 109.809 -102.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.266 6.0 pt20 -111.97 61.51 0.62 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 121.145 1.793 . . . . 0.0 112.086 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -131.66 156.62 45.53 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 127.211 2.205 . . . . 0.0 109.456 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -69.19 103.3 1.89 Allowed 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 154.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -68.25 146.8 53.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 122.002 0.906 . . . . 0.0 109.159 149.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -41.31 -41.25 1.88 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.604 2.362 . . . . 0.0 113.95 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -22.99 77.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.546 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.43 -51.24 6.67 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.74 1.616 . . . . 0.0 109.921 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -40.28 -49.17 2.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.999 2.12 . . . . 0.0 112.483 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -55.69 -18.71 8.65 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -165.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.77 -12.6 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.386 1.474 . . . . 0.0 111.515 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 tp -76.52 -43.96 37.07 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 127.09 2.156 . . . . 0.0 111.657 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 6.2 mmm -67.02 -28.97 68.67 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.592 0.757 . . . . 0.0 111.713 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -56.74 -23.42 42.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.933 1.693 . . . . 0.0 112.972 169.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -108.42 -41.78 4.76 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 126.242 1.817 . . . . 0.0 110.116 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -120.3 -5.33 9.91 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.76 44.14 1.28 Allowed Pre-proline 0 CA--C 1.566 1.572 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 163.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -40.14 -21.38 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 1 C-N-CA 126.469 4.78 . . . . 0.0 119.338 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.83 -20.29 56.14 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 120.159 1.345 . . . . 0.0 114.659 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.18 -30.71 69.88 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.316 1.558 . . . . 0.0 111.408 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -0.94 2.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.813 1.645 . . . . 0.0 113.857 -171.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -53.88 -26.99 27.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.182 1.793 . . . . 0.0 113.029 157.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -90.72 -66.22 0.95 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.651 0.781 . . . . 0.0 109.907 161.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.99 -43.41 1.69 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 115.199 0.84 . . . . 0.0 115.199 166.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -75.01 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.824 0.85 . . . . 0.0 111.876 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 52' ' ' ASP . 8.3 m-20 65.88 0.34 1.53 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.193 2.197 . . . . 0.0 116.116 164.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER 42.59 -0.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.53 3.532 . . . . 0.0 117.081 -161.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 50' ' ' ASP . 0.8 OUTLIER -124.98 -1.07 7.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 128.792 2.837 . . . . 0.0 112.833 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.34 -43.56 2.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.138 0.975 . . . . 0.0 111.835 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -34.24 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.675 0.39 . . . . 0.0 110.547 157.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.38 -20.19 65.52 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 127.976 2.51 . . . . 0.0 114.788 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -35.54 10.36 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.773 1.17 . . . . 0.0 109.45 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -0.37 1.2 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.341 1.857 . . . . 0.0 112.726 156.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 tp -104.84 -67.27 0.92 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.316 2.246 . . . . 0.0 108.586 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.49 -28.25 0.88 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.357 2.663 . . . . 0.0 115.551 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.33 -20.23 63.87 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 172.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -29.81 2.33 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.551 2.34 . . . . 0.0 112.709 -172.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.84 -14.72 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 131.997 4.119 . . . . 0.0 115.044 156.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.38 -31.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.04 1.736 . . . . 0.0 113.289 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.42 -42.73 95.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.457 2.303 . . . . 0.0 116.109 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.66 29.96 0.18 Allowed Glycine 0 CA--C 1.536 1.344 0 N-CA-C 116.555 1.382 . . . . 0.0 116.555 -154.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 t0 52.73 -5.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 131.287 3.835 . . . . 0.0 119.176 166.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -177.35 -4.27 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.531 2.732 . . . . 0.0 112.9 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -115.15 96.85 5.88 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 123.139 1.447 . . . . 0.0 108.717 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 t -78.68 115.47 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 128.34 2.656 . . . . 0.0 109.765 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.2 169.73 17.66 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.235 1.379 . . . . 0.0 113.044 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -53.29 56.53 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.894 1.678 . . . . 0.0 111.645 -177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.8 p -65.18 3.28 0.64 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.286 2.234 . . . . 0.0 114.403 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -120.27 -50.99 2.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.331 2.252 . . . . 0.0 108.771 -170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -46.57 -47.73 19.72 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.362 0.665 . . . . 0.0 110.282 157.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 tp -63.66 -34.04 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.89 -48.8 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.17 0.895 . . . . 0.0 109.711 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.28 -41.98 99.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.215 1.006 . . . . 0.0 111.779 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 76.5 t -53.35 -47.95 57.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.745 1.218 . . . . 0.0 109.875 170.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.51 2.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.62 -41.02 9.95 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.865 1.211 . . . . 0.0 111.005 153.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -58.45 -22.89 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.817 1.647 . . . . 0.0 112.495 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.4 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 14.8 t -50.58 -31.57 16.19 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.006 -1.684 . . . . 0.0 113.888 163.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -83.04 -1.56 53.02 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.258 1.023 . . . . 0.0 112.712 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.3 -29.54 10.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.583 1.953 . . . . 0.0 111.944 167.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.2 t -41.48 -47.07 3.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.539 2.335 . . . . 0.0 113.669 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -19.49 -80.38 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 129.251 3.02 . . . . 0.0 115.33 -164.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . 0.267 35.4 tttt 68.72 -36.98 0.34 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 115.411 -2.233 . . . . 0.0 114.982 -162.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.63 -27.41 0.31 Allowed 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 121.365 3.839 . . . . 0.0 121.365 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -153.46 -119.63 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 122.75 2.523 . . . . 0.0 113.084 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.43 -42.36 91.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.029 1.732 . . . . 0.0 110.134 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.589 ' CG ' ' H ' ' B' ' 92' ' ' THR 0.295 0.0 OUTLIER -124.83 -101.21 0.39 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.84 3.256 . . . . 0.0 103.275 164.321 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.589 ' H ' ' CG ' ' B' ' 91' ' ' LYS . 0.1 OUTLIER -128.14 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 128.104 2.561 . . . . 0.0 106.527 164.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.15 -12.02 48.12 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.83 0.728 . . . . 0.0 114.591 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp -110.19 9.13 23.92 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.036 1.734 . . . . 0.0 113.303 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.494 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 C-N-CA 130.885 3.674 . . . . 0.0 115.371 -168.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttm . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 p -153.76 -177.59 6.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 130.058 3.343 . . . . 0.0 106.28 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -56.7 -54.28 48.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.334 1.425 . . . . 0.0 111.238 171.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -52.2 -50.95 60.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.437 2.295 . . . . 0.0 111.415 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.92 -26.23 40.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.369 1.067 . . . . 0.0 113.794 -171.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -57.69 11.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.125 0.875 . . . . 0.0 109.783 167.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.84 62.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.978 0.911 . . . . 0.0 111.661 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.13 -30.35 71.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 173.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -22.32 31.54 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.461 -1.188 . . . . 0.0 113.392 164.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.8 mtp -85.93 -24.93 26.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.719 1.759 . . . . 0.0 113.712 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -93.21 -25.98 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 120.793 -1.192 . . . . 0.0 112.77 171.231 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mt -67.87 -30.18 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 116.721 -1.609 . . . . 0.0 111.059 155.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.76 -54.66 44.42 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.384 2.356 . . . . 0.0 110.197 165.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.27 -38.44 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 119.385 0.993 . . . . 0.0 112.519 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.98 -43.31 68.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.742 1.156 . . . . 0.0 114.046 168.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -61.37 -10.66 7.74 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.314 2.245 . . . . 0.0 113.499 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -112.18 -34.66 5.86 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 131.146 3.778 . . . . 0.0 111.592 -173.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.409 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 28.4 m-85 -109.62 -10.66 14.83 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -103.07 2.37 34.68 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.11 1.323 . . . . 0.0 111.689 148.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.38 26.9 62.42 Favored Glycine 0 CA--C 1.538 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 112.228 -166.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t 69.54 -50.55 0.62 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.008 2.523 . . . . 0.0 111.744 -163.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -141.74 153.58 44.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.53 1.132 . . . . 0.0 111.837 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.79 3.67 0.03 OUTLIER Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.892 1.117 . . . . 0.0 115.892 -173.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -149.15 -0.18 0.5 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.058 2.143 . . . . 0.0 110.998 -161.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.425 HG21 ' H ' ' A' ' 26' ' ' GLN . 1.1 m 81.65 -161.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.985 1.714 . . . . 0.0 108.13 -117.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' H ' HG21 ' A' ' 25' ' ' THR . 14.7 pt20 -104.4 49.15 0.82 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.274 1.43 . . . . 0.0 111.422 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.2 p -145.49 129.65 17.58 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.86 1.264 . . . . 0.0 112.786 -155.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.16 103.19 0.45 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.638 1.175 . . . . 0.0 110.845 162.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -70.43 165.25 22.93 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.984 -1.072 . . . . 0.0 111.524 158.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -55.38 -31.09 61.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.673 1.589 . . . . 0.0 113.309 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 -19.15 55.23 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.969 1.271 . . . . 0.0 115.091 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -85.33 -40.57 16.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.233 2.613 . . . . 0.0 109.293 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.71 -34.2 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.068 2.947 . . . . 0.0 115.175 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.75 -41.35 68.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -165.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.75 -11.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.914 1.286 . . . . 0.0 112.113 -174.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 4.3 tp -78.73 -34.39 45.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.205 3.002 . . . . 0.0 112.137 165.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.4 mmt -71.6 -53.53 13.42 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.166 0.894 . . . . 0.0 110.926 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -48.35 -35.85 13.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.395 1.478 . . . . 0.0 112.15 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -67.86 0.76 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 129.341 3.056 . . . . 0.0 112.406 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 -4.1 20.94 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -165.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.83 55.61 19.2 Favored Pre-proline 0 CA--C 1.557 1.245 0 C-N-CA 125.427 1.491 . . . . 0.0 114.321 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -39.43 154.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.334 3.356 . . . . 0.0 115.346 154.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.04 -56.86 4.62 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 124.102 0.858 . . . . 0.0 112.322 -176.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -55.76 -23.51 30.0 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.54 1.136 . . . . 0.0 112.36 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.03 -15.1 20.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.494 2.318 . . . . 0.0 114.8 170.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -60.16 -26.49 66.35 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.947 1.249 . . . . 0.0 112.539 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 m -101.69 -41.22 6.64 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.416 0.686 . . . . 0.0 110.968 162.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.59 -12.28 0.09 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 165.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.31 0.0 OUTLIER 172.12 -118.72 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 133.18 4.592 . . . . 0.0 107.403 170.06 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 55.5 m-20 49.47 33.29 5.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.641 1.977 . . . . 0.0 113.24 170.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP 0.316 0.0 OUTLIER 49.54 -6.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.791 3.636 . . . . 0.0 117.35 -167.117 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 66.3 m-20 -87.05 -22.54 25.39 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.087 1.312 . . . . 0.0 112.969 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.75 -174.59 4.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.532 1.133 . . . . 0.0 110.408 162.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.2 t 62.34 -61.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 126.618 1.967 . . . . 0.0 110.1 -162.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -55.42 -36.23 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.969 1.708 . . . . 0.0 113.511 165.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -89.75 -19.79 24.33 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.44 1.44 16.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.694 0.797 . . . . 0.0 111.344 164.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -110.26 -65.3 1.17 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 129.056 2.943 . . . . 0.0 109.201 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -27.68 24.52 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.972 2.109 . . . . 0.0 115.433 -172.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.33 -32.61 60.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.539 0.609 . . . . 0.0 111.816 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -39.2 10.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.678 1.591 . . . . 0.0 112.527 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -28.74 -35.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 132.698 4.399 . . . . 0.0 115.59 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -22.35 13.18 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.482 1.513 . . . . 0.0 114.982 171.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -11.53 53.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.84 1.656 . . . . 0.0 111.809 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.04 -74.33 0.01 OUTLIER Glycine 0 C--N 1.342 0.864 0 CA-C-N 120.685 1.584 . . . . 0.0 114.29 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.04 -62.94 0.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 144.47 -50.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.175 3.39 . . . . 0.0 107.832 -154.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.57 97.26 0.07 Allowed 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.454 -0.779 . . . . 0.0 109.358 153.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.97 101.97 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.683 1.993 . . . . 0.0 111.435 -165.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.47 162.65 4.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.908 1.683 . . . . 0.0 112.804 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.76 -33.68 68.75 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.283 -0.865 . . . . 0.0 113.073 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -63.79 -54.57 33.11 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.909 0.884 . . . . 0.0 110.545 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.62 -50.87 59.41 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.473 1.509 . . . . 0.0 110.214 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -57.81 -65.6 0.61 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.362 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.6 tp -58.58 -35.38 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 120.363 1.438 . . . . 0.0 112.98 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.0 -53.79 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.258 1.023 . . . . 0.0 111.086 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -79.94 -15.05 58.08 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 t -55.2 -51.41 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 120.465 1.484 . . . . 0.0 108.42 161.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.94 -15.18 41.3 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.53 -38.4 23.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.218 165.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.89 -47.93 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.055 1.742 . . . . 0.0 111.018 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -63.34 -22.84 67.12 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -82.61 -43.09 17.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.898 1.226 . . . . 0.0 111.105 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.15 76.46 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.463 1.505 . . . . 0.0 112.416 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -73.8 0.3 13.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.358 1.463 . . . . 0.0 114.869 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 87' ' ' LYS . 1.3 p80 -53.82 -63.7 1.06 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.733 1.606 . . . . 0.0 113.64 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.571 ' H ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 mtmp? 50.19 23.34 1.15 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.991 -163.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 49.06 26.92 1.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.85 2.46 . . . . 0.0 116.576 -165.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' A' ' 91' ' ' LYS . 54.1 p90 -128.3 168.32 15.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.518 -1.364 . . . . 0.0 110.995 162.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 61.88 -35.88 0.11 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.266 1.826 . . . . 0.0 113.596 -162.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -105.35 -20.02 13.62 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.185 2.594 . . . . 0.0 113.193 -174.536 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.265 0.5 OUTLIER -144.73 -54.37 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.308 0.958 . . . . 0.0 113.418 169.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.8 -2.65 8.28 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 117.541 1.777 . . . . 0.0 117.541 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.21 29.74 1.06 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.305 1.442 . . . . 0.0 112.053 162.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 C-N-CA 126.892 2.077 . . . . 0.0 110.598 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 56.2 p -142.95 -102.74 0.13 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 109.792 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -131.61 -52.39 1.0 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.722 2.009 . . . . 0.0 107.788 156.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -46.55 -50.26 17.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.081 1.353 . . . . 0.0 111.633 162.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.59 -18.36 58.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.669 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -40.92 61.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.944 1.702 . . . . 0.0 111.154 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.27 94.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.763 1.225 . . . . 0.0 110.744 166.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.7 mtm -63.56 -28.79 70.18 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 -21.08 29.33 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 118.389 -1.229 . . . . 0.0 113.112 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 37.8 mtt -88.24 -36.95 16.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.64 1.72 . . . . 0.0 112.774 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -77.64 -25.33 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.84 -1.162 . . . . 0.0 113.054 170.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mm -72.11 -34.26 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.173 160.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.55 -50.05 68.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 121.588 1.995 . . . . 0.0 110.566 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.81 -52.27 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.346 0.975 . . . . 0.0 111.803 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.94 -47.81 70.89 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.712 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -64.35 -10.03 21.76 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.955 2.502 . . . . 0.0 114.919 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -93.09 -63.54 1.2 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.015 0.825 . . . . 0.0 109.065 165.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . 0.261 0.2 OUTLIER -78.52 -13.4 59.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 -166.492 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.67 20.15 6.1 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.544 1.538 . . . . 0.0 111.581 157.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.68 -31.92 10.35 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.837 -0.539 . . . . 0.0 111.946 138.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -51.45 -29.29 15.69 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.174 1.79 . . . . 0.0 114.605 165.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 30.31 -116.65 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.397 1.879 . . . . 0.0 111.607 -160.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' B' ' 25' ' ' THR . . . 65.75 -36.45 0.14 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 127.263 2.363 . . . . 0.0 117.015 169.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.5 t -66.59 -2.52 4.89 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 129.973 3.309 . . . . 0.0 112.501 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.4 ' H ' ' C ' ' B' ' 23' ' ' GLY . 28.4 m 118.93 -102.83 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 135.289 5.436 . . . . 0.0 101.953 -154.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.75 38.55 2.01 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.392 1.477 . . . . 0.0 111.041 163.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p -122.29 176.31 5.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 128.068 2.547 . . . . 0.0 113.249 -166.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.95 114.49 27.15 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.672 -0.642 . . . . 0.0 110.66 158.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -62.14 147.65 46.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.9 0.857 . . . . 0.0 110.875 143.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -43.08 -34.61 1.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.716 2.806 . . . . 0.0 114.077 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.51 59.27 Favored Glycine 0 CA--C 1.533 1.201 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.212 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.52 -48.05 11.47 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.344 1.572 . . . . 0.0 109.635 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -49.26 1.11 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.653 2.381 . . . . 0.0 114.097 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -49.77 -42.79 47.42 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -169.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.44 -26.83 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.238 0.926 . . . . 0.0 113.32 -167.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.49 -39.34 58.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.738 1.215 . . . . 0.0 111.524 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 31.9 mmt -56.44 -31.74 64.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.23 1.012 . . . . 0.0 112.115 -169.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.82 -20.57 36.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.464 2.306 . . . . 0.0 114.187 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -113.84 -46.3 3.03 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.033 1.733 . . . . 0.0 111.074 -163.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -4.04 10.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' N ' ' CD ' ' B' ' 42' ' ' PRO . 21.4 mt -126.48 33.13 0.24 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 127.298 2.239 . . . . 0.0 114.85 167.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 41' ' ' LEU . 47.7 Cg_exo -42.27 -28.53 0.94 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.558 4.172 . . . . 0.0 119.473 -177.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.33 -34.18 84.49 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-N 120.475 1.488 . . . . 0.0 113.294 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -76.05 -11.65 59.98 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.945 0.872 . . . . 0.0 113.083 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 7.15 1.03 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -45.53 -31.52 1.84 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.384 1.074 . . . . 0.0 113.72 162.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -92.05 -31.79 15.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.03 1.732 . . . . 0.0 113.701 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.41 7.81 4.5 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.616 2.055 . . . . 0.0 116.894 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.362 0.0 OUTLIER 110.22 112.75 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.605 4.762 . . . . 0.0 111.501 -179.502 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -141.98 5.66 1.73 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.912 3.285 . . . . 0.0 111.526 -164.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' B' ' 51' ' ' LYS 0.402 0.0 OUTLIER 46.89 22.91 0.22 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 129.465 3.106 . . . . 0.0 115.076 -161.279 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.45 -27.93 1.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.103 1.761 . . . . 0.0 115.73 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 -40.77 5.68 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 121.691 2.042 . . . . 0.0 111.455 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.83 -29.58 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.513 0.725 . . . . 0.0 110.759 158.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.01 -25.8 56.06 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 126.253 1.821 . . . . 0.0 114.856 172.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -87.92 -39.88 14.4 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.358 1.89 . . . . 0.0 111.38 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -10.7 0.65 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.334 2.254 . . . . 0.0 111.861 160.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.53 -62.49 1.23 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.093 2.157 . . . . 0.0 111.318 161.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.42 -33.0 19.26 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.567 2.347 . . . . 0.0 115.332 -171.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.99 -8.32 48.08 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-N 119.508 1.049 . . . . 0.0 113.761 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.49 -34.17 0.64 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.46 1.904 . . . . 0.0 113.08 -170.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -37.04 -27.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 130.443 3.497 . . . . 0.0 114.145 153.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.82 -24.49 1.45 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.321 2.249 . . . . 0.0 114.644 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -73.16 -21.8 60.63 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 171.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.08 -77.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.846 1.212 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -178.53 -50.44 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.909 1.284 . . . . 0.0 113.229 -156.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 163.53 -1.2 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 130.875 3.67 . . . . 0.0 113.047 -160.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -114.92 101.19 8.79 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.182 1.393 . . . . 0.0 111.471 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 t -78.06 136.66 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.795 2.038 . . . . 0.0 112.453 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -111.19 168.28 9.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.821 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -58.31 -48.59 80.04 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.411 1.485 . . . . 0.0 111.387 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -66.15 -6.68 14.21 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 127.28 2.232 . . . . 0.0 113.345 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.85 -48.29 3.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.377 1.471 . . . . 0.0 109.757 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -51.54 -48.25 63.1 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.572 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 tp -57.68 -31.03 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.76 -47.62 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 110.602 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.15 -43.53 92.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.817 0.847 . . . . 0.0 112.001 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.34 -52.07 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.676 1.59 . . . . 0.0 109.96 169.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.67 17.98 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.56 -39.8 15.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.159 1.345 . . . . 0.0 111.587 162.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 14.4 mm -54.04 -44.78 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.657 1.183 . . . . 0.0 112.441 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -59.53 -7.67 1.55 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 35.2 m -106.75 -43.5 4.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.233 1.413 . . . . 0.0 111.212 165.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.8 -39.01 57.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.179 1.392 . . . . 0.0 113.111 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.5 m -65.98 4.59 0.62 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.033 1.733 . . . . 0.0 115.572 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -19.32 -52.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 130.056 3.342 . . . . 0.0 116.716 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.61 -39.25 0.71 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.036 1.735 . . . . 0.0 113.71 174.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.42 -17.35 29.94 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 -167.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.389 2.4 p90 52.96 -17.39 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.341 3.056 . . . . 0.0 118.277 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.9 -25.01 0.05 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.374 1.87 . . . . 0.0 112.79 130.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -94.24 -104.28 0.14 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.075 2.15 . . . . 0.0 109.168 171.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.25 95.02 0.97 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.312 1.045 . . . . 0.0 110.414 173.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.38 -19.79 2.63 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 129.071 3.224 . . . . 0.0 112.445 -169.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 60.7 tp -97.46 -40.88 8.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.507 1.523 . . . . 0.0 109.842 155.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' B' ' 95' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.903 1.681 . . . . 0.0 110.655 165.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.5 p -154.71 -173.86 4.74 Favored 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 133.533 4.733 . . . . 0.0 105.097 -174.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' CD ' HH22 ' B' ' 17' ' ' ARG . 28.8 tt0 -69.07 -43.09 75.3 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 124.743 3.429 . . . . 0.0 109.764 170.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -46.89 -59.4 3.11 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.734 1.213 . . . . 0.0 111.394 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 92.7 mt-10 -76.73 -29.0 56.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.524 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.5 64.52 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.809 1.64 . . . . 0.0 111.046 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.12 93.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.742 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.264 2.8 mtt -68.96 -28.64 66.81 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.272 1.396 . . . . 0.0 114.568 171.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.43 -47.83 7.02 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-O 117.818 -1.545 . . . . 0.0 111.853 155.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtp -66.12 -30.1 70.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.175 1.987 . . . . 0.0 114.92 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -25.04 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 121.315 1.87 . . . . 0.0 113.052 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mm -60.34 -35.21 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 118.724 0.693 . . . . 0.0 109.468 153.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 6.2 t0 -77.38 -17.14 58.45 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 120.177 -1.577 . . . . 0.0 113.153 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.1 -22.47 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 O-C-N 119.215 -2.178 . . . . 0.0 111.541 162.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -80.4 -29.7 37.73 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.525 -1.359 . . . . 0.0 111.391 165.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 46.7 t -62.75 -31.19 72.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.661 1.984 . . . . 0.0 112.894 164.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -63.73 1.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.696 1.134 . . . . 0.0 110.438 166.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 9.2 m-85 -98.22 -47.01 5.62 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -152.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -5.79 12.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.582 0.753 . . . . 0.0 112.763 158.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.84 4.92 56.08 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.088 1.327 . . . . 0.0 113.532 -172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m 115.57 -69.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.659 1 C-N-CA 132.797 4.439 . . . . 0.0 106.056 -163.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -154.92 157.96 38.55 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 129.817 3.247 . . . . 0.0 106.459 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 25' ' ' THR . . . 154.95 -29.61 0.66 Allowed Glycine 0 N--CA 1.475 1.271 0 CA-C-N 119.17 0.896 . . . . 0.0 114.642 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -56.81 -0.74 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 129.499 3.12 . . . . 0.0 115.051 165.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.495 ' H ' ' C ' ' A' ' 23' ' ' GLY . 28.1 m 112.63 -102.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 1 C-N-CA 133.748 4.819 . . . . 0.0 103.395 -142.493 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -135.01 30.4 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.278 1.431 . . . . 0.0 111.379 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -136.41 174.92 10.09 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -148.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.59 114.06 28.03 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 128.013 2.525 . . . . 0.0 108.928 155.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -77.65 165.96 23.6 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.99 0.9 . . . . 0.0 111.589 159.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -55.35 -33.51 63.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.262 1.825 . . . . 0.0 113.518 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.43 -8.79 73.7 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.152 1.358 . . . . 0.0 115.123 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -101.0 -37.52 8.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.266 2.226 . . . . 0.0 109.664 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.86 -43.59 73.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.016 2.526 . . . . 0.0 113.177 165.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -45.82 87.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.301 1.41 . . . . 0.0 113.884 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.89 -16.12 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.34 1.456 . . . . 0.0 113.261 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 8.9 tp -77.32 -32.96 55.64 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.511 2.324 . . . . 0.0 112.404 165.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -89.47 -36.81 15.2 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.22 0.918 . . . . 0.0 112.385 -169.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -50.63 -27.36 6.75 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.774 1.63 . . . . 0.0 112.011 166.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -99.2 -61.39 1.37 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 128.962 2.905 . . . . 0.0 111.562 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.39 0.54 14.8 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.49 42.73 0.78 Allowed Pre-proline 0 CA--C 1.572 1.817 0 C-N-CA 126.0 1.72 . . . . 0.0 114.961 169.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -41.21 -32.44 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 125.545 4.163 . . . . 0.0 118.753 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -19.67 73.07 Favored Glycine 0 CA--C 1.534 1.268 0 O-C-N 120.958 -1.089 . . . . 0.0 114.358 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -89.14 -12.43 41.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.812 1.245 . . . . 0.0 111.751 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.64 5.59 45.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.863 1.665 . . . . 0.0 112.929 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.8 -18.78 65.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.47 0.708 . . . . 0.0 111.777 160.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -97.81 -80.74 0.44 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.135 1.374 . . . . 0.0 108.192 158.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.83 -15.1 60.01 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 116.969 -2.017 . . . . 0.0 117.588 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HD2' ' H ' ' A' ' 50' ' ' ASP 0.323 0.0 OUTLIER -153.01 -90.54 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.041 2.421 . . . . 0.0 112.208 173.158 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 3.9 m-20 60.39 3.98 0.63 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.328 2.651 . . . . 0.0 116.313 155.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.347 0.0 OUTLIER 40.12 32.11 0.11 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.353 2.261 . . . . 0.0 113.894 -154.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -134.73 -165.97 1.74 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 129.166 2.986 . . . . 0.0 107.691 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 46.04 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.863 2.465 . . . . 0.0 116.057 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -46.5 -45.35 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.998 1.719 . . . . 0.0 110.69 161.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.8 -22.62 65.17 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.987 1.315 . . . . 0.0 113.783 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.16 -38.78 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.628 1.103 . . . . 0.0 111.513 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.04 -7.36 2.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.161 1.385 . . . . 0.0 112.628 162.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.71 -78.77 0.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.609 1.963 . . . . 0.0 108.249 156.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -40.55 23.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -168.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.3 -33.67 76.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.354 1.062 . . . . 0.0 112.033 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -38.49 9.3 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.185 1.394 . . . . 0.0 112.169 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -4.95 0.76 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.819 1.248 . . . . 0.0 113.619 172.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.86 -24.77 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.033 -1.042 . . . . 0.0 113.338 159.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -80.28 -16.54 54.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 113.719 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.96 -98.41 0.68 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.924 1.725 . . . . 0.0 112.627 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -157.52 -81.9 0.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.571 1.148 . . . . 0.0 111.426 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.49 25.03 0.98 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.341 1.856 . . . . 0.0 112.723 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -139.36 109.74 6.56 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.048 1.339 . . . . 0.0 109.325 164.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.76 112.91 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.608 1.963 . . . . 0.0 112.873 -166.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.75 166.8 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.638 1.175 . . . . 0.0 113.117 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -60.83 -34.37 74.45 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.811 -1.181 . . . . 0.0 113.626 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -65.32 -52.67 52.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.233 1.013 . . . . 0.0 110.456 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.52 -51.17 60.86 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 129.211 3.004 . . . . 0.0 109.806 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -54.02 -67.4 0.26 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.9 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 tp -58.04 -37.16 59.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 120.595 1.543 . . . . 0.0 113.539 -169.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.16 -51.39 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.27 1.028 . . . . 0.0 110.779 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.2 -17.89 54.0 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -48.09 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 120.288 1.404 . . . . 0.0 108.471 163.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.33 28.78 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 167.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.17 -24.4 24.49 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.679 -1.263 . . . . 0.0 112.893 165.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.15 -42.29 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.235 1.814 . . . . 0.0 110.678 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -55.07 -42.14 72.39 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.483 -0.761 . . . . 0.0 111.277 163.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -64.78 -22.76 67.05 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.99 -11.12 60.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.682 1.193 . . . . 0.0 112.614 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.7 p -68.86 -40.15 79.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.25 -0.906 . . . . 0.0 111.195 157.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -34.83 10.72 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -158.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 37.1 24.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 129.27 3.028 . . . . 0.0 116.905 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 51.23 60.4 3.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.388 1.875 . . . . 0.0 115.377 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -158.55 128.22 5.79 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.802 -1.811 . . . . 0.0 111.897 163.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 60.34 -61.83 0.07 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.297 2.239 . . . . 0.0 111.78 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -46.51 -25.58 0.71 Allowed 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 129.623 3.169 . . . . 0.0 112.47 163.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.16 -38.48 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 159.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.41 29.21 0.84 Allowed Glycine 0 N--CA 1.48 1.573 0 CA-C-N 120.071 1.305 . . . . 0.0 116.111 -169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.2 tp -131.07 -11.48 3.71 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 128.531 2.732 . . . . 0.0 111.589 174.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 125.284 1.433 . . . . 0.0 111.006 -169.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.272 0.082 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 26.9 p -153.43 -176.21 5.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.759 3.624 . . . . 0.0 107.477 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.19 -47.62 80.8 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 123.572 2.896 . . . . 0.0 109.743 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -59.37 5.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.06 1.744 . . . . 0.0 111.774 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 98.4 mt-10 -73.6 -29.98 62.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 118.326 -0.845 . . . . 0.0 113.242 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -39.82 66.42 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.579 1.536 . . . . 0.0 111.285 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.27 90.69 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.582 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtm -61.41 -32.33 72.28 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.11 -33.95 11.42 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.929 -1.484 . . . . 0.0 112.959 164.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 43.5 mtt -75.63 -32.85 60.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.946 1.873 . . . . 0.0 113.406 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -26.23 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 120.141 1.337 . . . . 0.0 113.194 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.96 -37.28 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.968 156.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.11 -44.1 93.29 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 120.321 1.419 . . . . 0.0 111.88 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -53.0 -31.32 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 121.302 1.865 . . . . 0.0 112.595 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 71' ' ' PHE . 46.7 t80 -82.08 -33.32 29.89 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.302 1.041 . . . . 0.0 113.646 170.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -83.45 1.19 42.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 128.311 2.645 . . . . 0.0 113.688 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.417 HH22 ' CD ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -70.5 -59.87 2.59 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.136 2.574 . . . . 0.0 108.669 156.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -87.62 -74.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.83 1.652 . . . . 0.0 111.259 -165.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.7 p -57.12 -18.26 14.15 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.263 -0.898 . . . . 0.0 113.116 167.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.48 -26.14 0.02 OUTLIER Glycine 0 C--N 1.342 0.913 0 C-N-CA 129.205 3.288 . . . . 0.0 117.02 163.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -144.37 60.09 1.34 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.683 1.241 . . . . 0.0 111.731 160.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 74.75 172.95 0.27 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.718 2.407 . . . . 0.0 116.754 162.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.48 9.02 0.03 OUTLIER Glycine 0 CA--C 1.534 1.238 0 C-N-CA 126.951 2.215 . . . . 0.0 113.088 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -176.73 -127.6 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.281 1.432 . . . . 0.0 107.217 -155.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 9.3 p -116.12 61.01 0.72 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.345 2.258 . . . . 0.0 107.032 148.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.373 1.2 pt20 39.97 82.55 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 130.47 3.508 . . . . 0.0 113.6 -168.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -135.93 171.22 14.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 129.693 3.197 . . . . 0.0 106.622 166.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.19 102.03 10.84 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.087 -1.008 . . . . 0.0 108.578 157.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -66.43 152.81 44.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.176 153.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -49.23 -34.29 14.64 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.892 1.677 . . . . 0.0 113.645 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.11 -25.08 64.82 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.552 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -84.67 -40.37 17.49 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.211 1.404 . . . . 0.0 110.193 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.12 -39.03 19.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.242 2.217 . . . . 0.0 113.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -62.55 -48.43 79.52 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -11.25 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.13 1.372 . . . . 0.0 113.796 -169.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.15 -41.58 41.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 129.569 3.148 . . . . 0.0 111.572 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.7 mmt -70.57 -35.51 73.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.045 0.938 . . . . 0.0 112.022 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.35 -33.29 28.83 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.395 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -97.6 -50.0 4.65 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.658 1.983 . . . . 0.0 110.047 -169.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -109.68 -6.81 15.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 113.803 -165.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.97 38.65 0.34 Allowed Pre-proline 0 CA--C 1.579 2.058 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -38.51 10.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.565 2 C-N-CA 129.449 6.766 . . . . 0.0 124.575 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.03 -7.68 2.52 Favored Glycine 0 N--CA 1.472 1.097 0 CA-C-N 121.771 2.078 . . . . 0.0 116.265 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -73.83 -10.84 60.08 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.217 1.509 . . . . 0.0 111.451 156.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.02 -6.99 37.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.797 2.439 . . . . 0.0 113.511 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -61.48 -22.84 65.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.373 1.069 . . . . 0.0 112.267 164.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t -104.55 -49.13 3.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.799 1.239 . . . . 0.0 111.019 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.26 -18.99 0.26 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 117.55 -1.694 . . . . 0.0 117.257 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -7.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.32 2.248 . . . . 0.0 115.686 169.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.22 47.77 1.47 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.39 1.45 . . . . 0.0 114.91 -151.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 -26.38 0.12 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.41 2.684 . . . . 0.0 114.224 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -82.1 -19.38 40.25 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.63 1.972 . . . . 0.0 113.585 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.01 -177.1 5.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.364 1.465 . . . . 0.0 111.03 166.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t 59.35 -61.38 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.1 2.16 . . . . 0.0 110.606 -156.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.96 -29.94 22.61 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.318 1.447 . . . . 0.0 113.05 166.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.01 -13.83 19.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.23 -3.79 53.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.651 0.78 . . . . 0.0 110.555 160.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -96.98 -74.01 0.58 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.52 2.328 . . . . 0.0 108.507 164.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -44.77 -35.33 2.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 128.425 2.69 . . . . 0.0 116.248 -169.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.87 -47.75 79.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.846 1.258 . . . . 0.0 113.101 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -41.21 9.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.762 2.025 . . . . 0.0 112.286 -173.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -37.5 -24.4 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 131.656 3.983 . . . . 0.0 114.857 165.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.64 -28.59 2.45 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.023 1.729 . . . . 0.0 114.785 164.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -18.82 41.63 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.405 1.082 . . . . 0.0 112.926 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.54 -96.96 0.81 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.74 1.638 . . . . 0.0 112.62 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -165.24 -42.15 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 157.18 -3.46 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 131.44 3.896 . . . . 0.0 113.592 -164.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -111.42 87.41 2.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.905 1.682 . . . . 0.0 108.406 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.62 102.97 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 127.689 2.395 . . . . 0.0 112.238 -169.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.08 165.56 10.95 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 125.202 1.401 . . . . 0.0 112.84 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.402 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 2.9 p90 -63.29 -27.45 69.34 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.893 -1.129 . . . . 0.0 113.444 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.0 p -60.15 -57.44 12.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.575 1.15 . . . . 0.0 110.777 172.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.66 -51.41 60.3 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.959 2.104 . . . . 0.0 109.847 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -54.62 -62.25 1.78 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.049 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.9 -38.98 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 119.606 1.094 . . . . 0.0 112.524 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 52.3 t -55.66 -49.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.745 1.218 . . . . 0.0 110.8 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -84.5 -15.47 45.8 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -57.46 -36.58 53.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 120.58 1.537 . . . . 0.0 109.482 160.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.58 9.73 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 167.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 -41.89 8.55 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.818 156.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.42 -31.33 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.154 1.382 . . . . 0.0 111.403 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -57.39 -22.51 43.28 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.7 p -86.07 -29.27 23.52 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.575 1.079 . . . . 0.0 111.985 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.58 -0.4 17.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 113.137 168.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.7 m -39.51 -34.78 0.24 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.537 2.735 . . . . 0.0 114.391 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -49.71 -88.76 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.833 2.453 . . . . 0.0 113.652 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm 48.01 -85.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.779 2.032 . . . . 0.0 112.183 -157.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.68 44.27 0.92 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.087 2.555 . . . . 0.0 111.283 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -145.18 159.7 42.59 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 130.587 3.555 . . . . 0.0 104.385 163.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 64.13 -45.45 0.28 Allowed 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.127 1.785 . . . . 0.0 114.156 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -60.21 2.22 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.216 2.206 . . . . 0.0 111.308 159.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.332 0.6 OUTLIER -78.86 -11.26 59.99 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.958 1.708 . . . . 0.0 113.016 175.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.61 -14.79 10.06 Favored Glycine 0 CA--C 1.541 1.713 0 CA-C-O 119.24 -0.756 . . . . 0.0 113.786 157.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.01 26.98 4.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.485 1.914 . . . . 0.0 112.382 169.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.518 0.0 OUTLIER . . . . . 0 C--O 1.256 1.407 1 C-N-CA 132.027 4.131 . . . . 0.0 116.907 -169.0 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.0 ttm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -153.21 -170.09 3.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 128.836 2.854 . . . . 0.0 108.382 -165.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.19 -54.3 46.8 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 123.541 2.882 . . . . 0.0 109.021 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tt -51.87 -60.04 3.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.836 2.055 . . . . 0.0 111.259 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.63 -21.89 37.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.873 0.869 . . . . 0.0 112.84 -168.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -49.22 45.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.897 1.68 . . . . 0.0 110.005 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 91.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtt -75.54 -25.29 57.05 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.352 1.433 . . . . 0.0 114.697 169.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.11 -33.02 6.9 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 117.775 -1.57 . . . . 0.0 113.303 156.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.9 mtt -74.77 -17.59 60.61 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.613 2.206 . . . . 0.0 114.363 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -25.43 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.869 1.213 . . . . 0.0 113.363 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.17 -31.97 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 118.972 0.805 . . . . 0.0 109.316 153.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.54 -34.16 76.51 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 120.276 -1.515 . . . . 0.0 112.588 166.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.9 -53.66 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 121.632 2.015 . . . . 0.0 110.236 172.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -46.55 -47.61 19.61 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.229 0.331 . . . . 0.0 111.123 167.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 m -68.49 -16.78 64.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -67.89 -44.97 75.77 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.27 1.85 . . . . 0.0 109.057 162.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.76 -15.18 13.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -153.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.34 6.17 30.28 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.383 0.992 . . . . 0.0 111.456 148.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.65 51.42 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.014 1.292 . . . . 0.0 115.192 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 t 97.36 -71.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.502 3.521 . . . . 0.0 107.875 -158.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.8 149.7 52.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.242 0.928 . . . . 0.0 111.214 165.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.11 -5.73 0.02 OUTLIER Glycine 0 CA--C 1.542 1.724 0 N-CA-C 117.496 1.758 . . . . 0.0 117.496 -163.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.21 2.73 0.57 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.301 2.641 . . . . 0.0 112.846 -160.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.387 14.5 t 71.4 -154.62 0.1 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.649 1.979 . . . . 0.0 110.134 -110.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -108.18 55.29 0.64 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 121.518 1.963 . . . . 0.0 111.528 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -148.06 135.76 20.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -162.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 97.61 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.522 1.129 . . . . 0.0 110.725 161.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -72.23 165.23 24.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.291 -0.881 . . . . 0.0 111.584 162.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -57.78 -28.83 64.34 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.602 1.561 . . . . 0.0 113.765 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.27 -16.92 61.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.729 1.157 . . . . 0.0 115.265 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -93.52 -37.32 11.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.614 2.365 . . . . 0.0 110.209 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.27 -34.23 63.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 129.644 3.177 . . . . 0.0 114.521 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -74.64 -42.92 57.69 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -168.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.75 -18.01 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 124.835 1.254 . . . . 0.0 111.579 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.27 -28.56 63.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.547 2.739 . . . . 0.0 112.235 167.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -20.41 19.22 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.644 -1.285 . . . . 0.0 113.338 -169.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.58 -7.36 14.45 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.869 1.268 . . . . 0.0 112.849 167.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HZ2' ' CD ' ' A' ' 40' ' ' GLU . 18.7 tptp -138.22 -61.16 0.61 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.779 2.032 . . . . 0.0 109.657 -148.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' CD ' ' HZ2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -102.71 -11.65 18.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.51 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -130.7 42.37 0.89 Allowed Pre-proline 0 CA--C 1.558 1.256 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.66 142.82 48.96 Favored 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 121.512 1.576 . . . . 0.0 112.768 171.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 -34.26 5.88 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.861 1.696 . . . . 0.0 113.908 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.73 -17.2 64.48 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.743 -1.445 . . . . 0.0 111.272 162.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 4.88 3.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.449 2.3 . . . . 0.0 114.036 172.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' NE2' ' HZ3' ' A' ' 91' ' ' LYS . 6.7 pt20 -51.21 -25.86 6.13 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.237 0.926 . . . . 0.0 113.226 161.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -109.24 -60.99 1.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.85 1.66 . . . . 0.0 109.804 164.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -10.77 66.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.65 1.595 . . . . 0.0 115.092 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -170.04 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.196 1.498 . . . . 0.0 112.379 -170.62 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.56 ' H ' ' CG ' ' A' ' 49' ' ' LYS . 48.1 m-20 44.52 17.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 133.354 4.661 . . . . 0.0 117.064 176.288 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.322 0.1 OUTLIER 47.95 15.37 0.06 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 128.748 2.819 . . . . 0.0 115.683 -171.573 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -135.41 4.67 3.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.63 1.572 . . . . 0.0 113.759 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.22 -67.1 1.01 Allowed 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.074 1.306 . . . . 0.0 112.233 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.48 -35.47 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.336 0.654 . . . . 0.0 110.448 166.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.76 -20.16 65.19 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.461 1.505 . . . . 0.0 114.135 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -97.47 -39.96 8.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.089 1.313 . . . . 0.0 111.654 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.65 -3.08 0.43 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.273 1.029 . . . . 0.0 112.921 157.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -98.94 -68.99 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.975 2.11 . . . . 0.0 110.413 158.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.67 12.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.967 2.107 . . . . 0.0 116.292 -171.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.93 -34.29 64.28 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.133 1.333 . . . . 0.0 112.16 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.54 -39.57 10.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.644 1.578 . . . . 0.0 111.953 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -29.2 -38.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.306 3.843 . . . . 0.0 115.633 167.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.09 -21.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -18.44 28.95 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.711 1.204 . . . . 0.0 112.473 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.12 -71.62 0.02 OUTLIER Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.731 1.605 . . . . 0.0 114.015 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -150.19 -63.36 0.21 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 145.04 -51.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 130.04 3.336 . . . . 0.0 107.767 -154.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.58 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 150.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.32 107.31 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.909 2.084 . . . . 0.0 111.856 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.52 163.1 11.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.541 1.536 . . . . 0.0 112.817 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -56.65 -31.84 64.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.792 0.837 . . . . 0.0 112.763 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.7 -51.99 65.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.514 1.526 . . . . 0.0 110.58 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -47.14 87.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.808 1.643 . . . . 0.0 109.659 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.6 -64.82 0.77 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 117.636 -1.173 . . . . 0.0 110.81 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.75 -40.35 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.564 1.529 . . . . 0.0 112.982 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.2 -49.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.714 0.806 . . . . 0.0 111.771 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -87.55 -17.9 30.98 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.37 -48.5 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.41 1.459 . . . . 0.0 108.678 159.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.88 -12.17 60.13 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.76 -49.68 17.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.884 1.22 . . . . 0.0 109.986 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mm -47.45 -49.41 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.612 1.965 . . . . 0.0 113.119 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -49.5 -36.37 22.82 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -94.25 -39.35 10.57 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.393 0.542 . . . . 0.0 111.599 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.73 -50.74 69.88 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.189 1.395 . . . . 0.0 113.448 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 p -55.18 -51.21 67.25 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.562 1.145 . . . . 0.0 110.27 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -8.64 15.65 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.082 1.353 . . . . 0.0 114.302 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -71.23 -12.26 61.37 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.184 -1.572 . . . . 0.0 113.654 170.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -96.02 -34.71 11.66 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -165.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 64.62 166.85 0.16 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 125.872 1.669 . . . . 0.0 112.717 -154.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 62.13 -58.54 0.12 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.931 1.292 . . . . 0.0 109.671 -140.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HZ3' ' NE2' ' A' ' 46' ' ' GLN . 5.4 mptt -58.25 -76.7 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.325 2.65 . . . . 0.0 110.248 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -11.64 60.81 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.95 -10.93 15.84 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.724 162.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.5 tp -138.55 4.79 2.4 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.775 2.43 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' C ' ' HZ1' ' A' ' 95' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.518 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -169.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -133.13 -99.82 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.839 0.745 . . . . 0.0 111.532 -160.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -143.04 -55.83 0.41 Allowed 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 128.596 2.759 . . . . 0.0 105.793 168.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 tt -44.8 -60.14 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.742 1.617 . . . . 0.0 113.434 155.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.8 -31.98 70.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.317 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.06 73.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.991 1.269 . . . . 0.0 112.277 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.168 1.387 . . . . 0.0 111.054 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -62.22 -27.63 69.12 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.07 1.304 . . . . 0.0 114.081 171.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.08 -11.34 1.42 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 127.136 2.303 . . . . 0.0 113.911 164.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 71.0 mtp -102.49 -10.76 19.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.283 1.833 . . . . 0.0 112.718 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -13.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.946 1.248 . . . . 0.0 113.512 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -70.35 -6.07 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 118.658 0.663 . . . . 0.0 111.345 145.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -117.45 -26.74 6.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.894 1.678 . . . . 0.0 113.252 -174.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -26.97 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 119.618 -1.926 . . . . 0.0 110.851 147.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.19 -12.35 59.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.286 165.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 6.7 p -72.53 -91.16 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 115.22 -2.324 . . . . 0.0 107.397 165.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.29 -82.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 128.685 2.794 . . . . 0.0 112.811 162.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . 0.264 0.4 OUTLIER -40.38 -88.23 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.145 1 C-N-CA 137.719 6.407 . . . . 0.0 115.407 161.021 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 10.5 p -75.73 -0.84 22.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.78 10.21 0.01 OUTLIER Glycine 0 N--CA 1.481 1.661 1 C-N-CA 133.525 5.345 . . . . 0.0 119.785 -154.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 m -151.48 -60.24 0.17 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 152.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -142.46 124.08 14.98 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.017 1.727 . . . . 0.0 111.072 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.82 35.74 3.95 Favored Glycine 0 CA--C 1.545 1.931 0 C-N-CA 128.02 2.724 . . . . 0.0 113.353 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 126.53 -16.11 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 1 C-N-CA 134.521 5.128 . . . . 0.0 110.641 -154.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.9 t 117.17 172.16 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 1 C-N-CA 134.328 5.051 . . . . 0.0 105.471 -146.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.363 2.2 pt20 -74.83 77.72 2.11 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 122.846 2.566 . . . . 0.0 113.066 -174.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -163.86 167.65 20.48 Favored 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 135.868 5.667 . . . . 0.0 105.599 -173.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 119.26 36.15 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.881 1.673 . . . . 0.0 111.322 167.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -66.49 155.88 36.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.242 151.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -46.67 -38.39 9.71 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.912 2.085 . . . . 0.0 112.572 169.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.58 89.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.267 1.413 . . . . 0.0 113.799 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -83.96 -44.61 14.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.055 1.428 . . . . 0.0 110.375 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -44.74 -43.04 8.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.699 1.6 . . . . 0.0 112.239 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -50.41 -39.45 47.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.33 -40.04 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 120.013 1.279 . . . . 0.0 112.83 -159.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.94 -35.55 69.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.52 0.728 . . . . 0.0 111.503 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt -56.36 -39.65 73.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.911 0.884 . . . . 0.0 112.254 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -56.96 -19.44 18.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.253 1.821 . . . . 0.0 114.111 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -114.22 -52.9 2.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.727 2.011 . . . . 0.0 109.159 -168.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.63 0.88 19.26 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.86 34.88 0.28 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 164.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.22 -20.05 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.736 3.624 . . . . 0.0 119.669 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.22 -49.47 52.46 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 120.195 1.361 . . . . 0.0 112.049 169.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.39 -30.93 70.86 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.369 -1.077 . . . . 0.0 111.851 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.33 -6.3 0.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -11.07 56.73 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.227 1.376 . . . . 0.0 112.143 162.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.38 -17.38 25.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.356 2.262 . . . . 0.0 112.439 164.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.53 -87.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.063 0 C-N-CA 128.043 2.735 . . . . 0.0 114.767 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.57 -68.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.716 2.406 . . . . 0.0 111.083 172.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.04 -43.24 0.16 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.157 2.583 . . . . 0.0 116.004 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER 139.24 -14.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 137.433 6.293 . . . . 0.0 112.429 175.57 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.91 -20.1 14.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.88 1.672 . . . . 0.0 113.609 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.23 169.81 9.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.017 0.826 . . . . 0.0 109.352 156.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.65 -46.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.306 1.842 . . . . 0.0 110.56 -159.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -44.98 -57.83 3.56 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 126.398 1.879 . . . . 0.0 112.325 154.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -0.77 19.24 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.58 -63.41 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 117.947 -1.025 . . . . 0.0 108.93 150.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -38.89 -65.12 0.39 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.153 1.381 . . . . 0.0 111.605 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -23.08 21.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.322 2.649 . . . . 0.0 115.126 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -53.26 7.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.755 0.822 . . . . 0.0 110.994 172.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.04 89.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.865 0.866 . . . . 0.0 111.56 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.64 -36.57 0.26 Allowed 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.346 4.258 . . . . 0.0 115.351 177.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.3 -16.72 3.67 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -16.96 27.82 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.003 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.43 -67.46 0.01 OUTLIER Glycine 0 N--CA 1.474 1.192 0 CA-C-N 121.445 1.929 . . . . 0.0 115.288 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -140.3 -62.96 0.49 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -172.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 137.85 -52.02 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 129.731 3.213 . . . . 0.0 108.022 -150.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -74.82 86.55 2.22 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 109.42 163.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 111.95 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.934 2.494 . . . . 0.0 113.45 -163.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.35 162.9 5.61 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.377 1.871 . . . . 0.0 112.763 166.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -37.82 64.53 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.009 0.923 . . . . 0.0 111.746 174.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 -45.97 91.36 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 110.998 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.74 -50.71 71.32 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.798 1.239 . . . . 0.0 110.147 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -61.11 -55.04 37.09 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.184 0.594 . . . . 0.0 111.438 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.16 -41.63 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.966 0.906 . . . . 0.0 112.372 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -53.96 -48.41 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.168 0.987 . . . . 0.0 111.187 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -79.76 -24.02 41.81 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.5 t -52.13 -36.14 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 120.596 1.544 . . . . 0.0 110.776 167.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.09 63.09 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 172.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.07 -48.45 16.04 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.256 0.935 . . . . 0.0 109.897 163.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.72 -46.05 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.803 2.041 . . . . 0.0 112.801 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -53.02 -28.82 26.14 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.164 0.986 . . . . 0.0 112.829 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.0 p -88.65 -41.52 12.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.701 0.8 . . . . 0.0 112.708 168.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.85 68.9 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.52 1.528 . . . . 0.0 113.227 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 52.1 p -62.93 -20.39 65.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -108.78 -15.26 14.44 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.829 2.052 . . . . 0.0 113.062 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -60.25 -27.77 67.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.328 1.451 . . . . 0.0 111.764 166.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.25 -49.7 5.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.983 0.913 . . . . 0.0 112.889 169.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 t80 60.52 -24.24 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.797 2.439 . . . . 0.0 116.769 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.69 -19.97 30.68 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.573 1.533 . . . . 0.0 111.557 147.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.78 -94.78 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.387 1.475 . . . . 0.0 110.035 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.4 t -75.25 -2.14 26.67 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.6 -4.85 79.38 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.541 -1.35 . . . . 0.0 113.346 164.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 63.4 tp -89.94 -32.01 17.01 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.695 1.247 . . . . 0.0 111.341 156.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.258 1.507 0 C-N-CA 125.356 1.463 . . . . 0.0 113.17 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 32.7 ttm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -155.85 -173.19 4.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 131.332 3.853 . . . . 0.0 106.652 -172.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CD ' HH22 ' B' ' 17' ' ' ARG . 77.2 tt0 -60.43 -52.92 63.18 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 122.689 2.495 . . . . 0.0 111.297 172.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.53 -52.17 49.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.577 1.551 . . . . 0.0 110.905 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 36.8 mt-10 -79.59 -13.67 59.36 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.18 63.64 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.067 1.758 . . . . 0.0 109.867 171.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.31 89.93 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.497 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mtm -62.52 -32.41 73.34 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.55 1.523 . . . . 0.0 113.93 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.68 -41.33 9.64 Favored Glycine 0 C--O 1.214 -1.103 0 CA-C-O 117.454 -1.748 . . . . 0.0 111.386 163.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.9 mtp -68.47 -31.68 71.15 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.232 2.016 . . . . 0.0 114.182 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.315 0.0 OUTLIER -91.21 -30.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.11 1.323 . . . . 0.0 113.75 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.83 -32.65 57.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 121.73 -0.606 . . . . 0.0 110.481 157.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.28 -40.57 70.82 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 120.557 -1.339 . . . . 0.0 111.619 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.68 -47.19 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.734 1.606 . . . . 0.0 110.989 165.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.48 -21.94 66.19 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -90.2 -7.08 54.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.764 1.626 . . . . 0.0 112.9 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -73.62 -55.85 5.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.908 1.283 . . . . 0.0 110.221 165.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -102.73 -52.36 3.1 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -159.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -10.02 31.32 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.012 0.823 . . . . 0.0 112.147 154.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 -9.06 10.18 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.811 1.672 . . . . 0.0 115.912 161.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m 113.13 -66.52 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 131.998 4.119 . . . . 0.0 106.286 -157.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -140.43 155.41 46.73 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.334 1.453 . . . . 0.0 109.991 167.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.73 2.86 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.299 0.952 . . . . 0.0 115.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.41 -4.88 0.33 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.829 2.052 . . . . 0.0 111.715 -153.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 p 77.2 -160.12 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.562 1.145 . . . . 0.0 109.36 -111.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -108.76 61.19 0.6 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.321 1.419 . . . . 0.0 111.203 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.8 p -139.35 161.2 38.02 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.838 1.655 . . . . 0.0 110.924 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.62 116.03 21.17 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 150.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -73.61 163.34 28.14 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.596 -0.842 . . . . 0.0 111.316 152.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HE2' HD21 ' A' ' 58' ' ' LEU . 22.5 ttmt -55.77 -30.2 60.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.39 1.876 . . . . 0.0 113.16 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.4 -14.39 74.05 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.022 1.296 . . . . 0.0 114.987 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -102.44 -39.42 7.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 128.362 2.665 . . . . 0.0 109.879 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -26.97 25.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.285 2.234 . . . . 0.0 114.837 168.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -81.86 -48.22 11.82 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.035 1.289 . . . . 0.0 114.291 -165.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -15.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.903 1.681 . . . . 0.0 111.792 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.99 -68.45 0.39 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.299 2.24 . . . . 0.0 110.672 157.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . 0.345 8.2 ptm -53.74 -14.5 0.94 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 -168.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.43 -35.55 70.22 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 121.302 1.864 . . . . 0.0 113.311 165.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.99 -49.56 6.52 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 128.835 2.854 . . . . 0.0 111.197 -161.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -0.73 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.418 1.487 . . . . 0.0 113.925 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mt -122.79 31.88 0.2 Allowed Pre-proline 0 CA--C 1.566 1.581 0 C-N-CA 125.188 1.395 . . . . 0.0 114.168 160.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -54.41 132.56 51.59 Favored 'Trans proline' 0 C--N 1.362 1.268 0 CA-C-N 122.733 2.012 . . . . 0.0 113.038 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.2 -38.42 3.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.709 1.623 . . . . 0.0 112.209 -172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.441 1.12 . . . . 0.0 111.244 166.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.04 7.65 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 130.286 3.434 . . . . 0.0 114.136 171.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -47.57 -30.15 3.37 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.172 1.351 . . . . 0.0 113.759 166.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.7 m -91.09 -18.87 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.64 1.976 . . . . 0.0 114.814 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.23 -79.14 0.01 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.265 1.888 . . . . 0.0 112.81 -158.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.2 125.23 11.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.335 1.854 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -138.59 4.13 2.35 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.333 2.253 . . . . 0.0 112.326 -170.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 48.76 23.15 0.62 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 128.646 2.778 . . . . 0.0 115.56 -162.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.26 -6.18 1.4 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.5 -53.06 2.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.418 1.887 . . . . 0.0 110.69 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -44.11 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.038 0.935 . . . . 0.0 110.107 161.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.56 -18.83 62.91 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 125.46 1.504 . . . . 0.0 114.044 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -98.73 -23.78 15.29 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.218 1.372 . . . . 0.0 111.686 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.91 0.52 10.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.838 . . . . 0.0 111.543 156.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 30' ' ' LYS . 2.3 tp -102.38 -74.87 0.62 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.707 1.603 . . . . 0.0 110.214 162.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -42.84 3.28 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.613 3.165 . . . . 0.0 115.046 -170.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 m-20 -55.87 -48.62 75.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.028 1.331 . . . . 0.0 112.303 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.05 -46.41 10.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.82 1.648 . . . . 0.0 112.199 -177.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.05 -35.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 131.636 3.975 . . . . 0.0 114.828 169.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.96 -26.47 1.76 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.367 1.867 . . . . 0.0 115.345 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.53 -14.18 49.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.944 1.698 . . . . 0.0 112.014 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.82 -66.82 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 120.362 1.437 . . . . 0.0 114.95 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.09 -59.56 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.732 0.813 . . . . 0.0 112.764 -167.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.17 -51.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 130.292 3.437 . . . . 0.0 107.836 -155.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.67 97.2 0.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.379 0.609 . . . . 0.0 110.177 157.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.0 102.78 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 129.598 3.159 . . . . 0.0 111.361 -169.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.48 164.55 3.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.941 1.696 . . . . 0.0 112.704 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -56.78 -33.51 66.71 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 123.678 0.791 . . . . 0.0 112.043 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -62.42 -53.5 53.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.426 1.49 . . . . 0.0 110.528 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.14 -49.92 75.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.371 1.468 . . . . 0.0 109.518 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.48 -64.69 0.78 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.42 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.66 -37.49 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 120.158 1.345 . . . . 0.0 113.164 -173.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.64 -51.31 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 123.662 0.785 . . . . 0.0 110.957 172.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 6.7 m-85 -77.77 -20.79 52.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.08 -53.61 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 162.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.4 -7.31 6.27 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 171.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.58 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.127 1.331 . . . . 0.0 111.907 162.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.51 -47.37 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.998 2.119 . . . . 0.0 111.429 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -56.13 -9.6 0.67 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.6 p -109.3 -35.49 6.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.785 1.634 . . . . 0.0 112.153 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.64 -30.29 65.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.803 1.641 . . . . 0.0 113.896 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -65.65 -0.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -173.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -52.52 -19.26 2.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -50.88 -20.95 1.47 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.308 2.243 . . . . 0.0 114.449 168.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.407 ' HH ' ' CD ' ' B' ' 5' ' ' GLU . 17.5 m-85 -56.39 -28.11 58.29 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -144.42 -119.85 0.09 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.112 0.869 . . . . 0.0 109.003 156.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -28.98 24.77 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.209 1.368 . . . . 0.0 111.578 160.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 -23.35 4.52 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 p 112.28 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 130.909 3.684 . . . . 0.0 108.577 -152.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.94 17.23 8.15 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.376 1.465 . . . . 0.0 114.111 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -154.77 -37.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.286 2.234 . . . . 0.0 109.705 -171.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? . . . . . 0 C--O 1.257 1.482 0 C-N-CA 128.539 2.736 . . . . 0.0 107.479 171.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpp . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.512 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.8 p -134.16 -172.83 3.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.432 2.693 . . . . 0.0 108.632 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.58 -56.76 17.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.14 1.791 . . . . 0.0 111.294 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.44 -46.54 63.05 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.962 1.705 . . . . 0.0 112.344 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.512 ' HB2' ' H ' ' B' ' 2' ' ' THR . 57.0 mt-10 -78.46 -30.79 47.63 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.84 80.02 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 120.004 1.274 . . . . 0.0 110.626 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.84 69.83 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.241 0.616 . . . . 0.0 110.373 165.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mtm -60.89 -32.7 72.15 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.26 -34.97 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 118.619 -1.1 . . . . 0.0 112.438 164.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mtt -80.54 -37.19 31.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.164 1.482 . . . . 0.0 113.383 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -30.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.444 1.474 . . . . 0.0 112.463 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm -63.1 -42.1 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.759 161.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.93 -48.96 74.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.18 1.355 . . . . 0.0 113.124 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -33.51 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.161 1.346 . . . . 0.0 112.436 -176.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 53.4 t80 -72.87 -42.13 63.97 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.162 1.385 . . . . 0.0 113.61 167.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 17.1 t -71.65 1.42 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.426 1.891 . . . . 0.0 114.178 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.404 HH22 ' CD ' ' A' ' 3' ' ' GLU . 1.4 mtp180 -87.96 -57.64 2.86 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.165 1.786 . . . . 0.0 109.926 159.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.99 -45.25 28.01 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -75.26 -3.08 31.14 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 0.0 112.814 162.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.86 16.49 0.07 OUTLIER Glycine 0 C--N 1.345 1.079 1 C-N-CA 130.748 4.023 . . . . 0.0 119.35 -149.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.1 m -160.08 -59.39 0.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 163.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -137.89 157.36 46.56 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.306 1.442 . . . . 0.0 109.305 147.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.06 33.68 2.29 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 126.503 2.001 . . . . 0.0 110.412 166.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 145.18 -69.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.41 3.484 . . . . 0.0 109.751 -155.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t 179.67 52.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.218 3.407 . . . . 0.0 107.168 -172.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.335 4.7 pt20 30.57 62.57 0.19 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.5 2.72 . . . . 0.0 115.393 -153.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -127.12 172.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.014 2.126 . . . . 0.0 107.482 156.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.11 109.46 20.52 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 153.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -67.82 157.01 35.79 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.722 148.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -45.85 -34.69 3.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.811 2.444 . . . . 0.0 113.501 171.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.65 -28.44 55.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.463 1.03 . . . . 0.0 114.76 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.45 -49.48 16.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.607 1.563 . . . . 0.0 108.899 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -47.43 -39.62 16.03 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.159 2.184 . . . . 0.0 113.34 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -60.74 -47.0 88.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.51 1.505 . . . . 0.0 114.546 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.64 -6.03 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.057 1.343 . . . . 0.0 112.133 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.45 -36.8 14.35 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.637 2.775 . . . . 0.0 111.624 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mmt -69.1 -25.82 64.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 111.675 -172.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.74 -25.8 55.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.646 1.178 . . . . 0.0 113.084 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -106.78 -48.67 3.46 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.669 1.988 . . . . 0.0 109.906 -167.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.15 -35.45 21.71 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.475 1.51 . . . . 0.0 114.232 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.74 40.87 0.65 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 126.577 1.951 . . . . 0.0 115.082 -165.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -34.94 127.41 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 123.062 2.508 . . . . 0.0 113.759 157.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.45 -40.38 2.46 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.858 1.218 . . . . 0.0 113.788 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -65.89 -22.51 66.52 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.881 1.84 . . . . 0.0 110.991 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -6.97 29.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.322 2.649 . . . . 0.0 113.526 171.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.12 -23.58 67.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.858 1.208 . . . . 0.0 111.613 166.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.3 t -96.25 -67.28 0.86 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.838 0.855 . . . . 0.0 109.958 155.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.36 3.62 66.51 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-O 117.05 -1.972 . . . . 0.0 115.563 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.486 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.253 0.0 OUTLIER 173.87 -108.85 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.342 2.657 . . . . 0.0 111.357 -176.339 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.486 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 9.6 m-20 49.86 18.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.385 2.674 . . . . 0.0 115.348 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.7 18.72 0.2 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.535 2.734 . . . . 0.0 116.116 -161.009 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.62 -10.42 7.34 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.442 1.897 . . . . 0.0 114.43 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.92 175.13 9.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.319 1.447 . . . . 0.0 109.697 160.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t 57.94 -64.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 126.274 1.83 . . . . 0.0 110.65 -160.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -48.26 -39.02 20.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.058 2.143 . . . . 0.0 113.465 167.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -92.72 -9.46 40.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -88.75 -1.08 57.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.924 0.489 . . . . 0.0 110.231 163.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tp -102.15 -71.42 0.72 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.593 2.357 . . . . 0.0 109.736 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.4 1.47 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.287 3.035 . . . . 0.0 115.668 -170.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -46.0 90.91 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.629 1.972 . . . . 0.0 113.008 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -25.97 13.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.81 2.444 . . . . 0.0 113.086 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.4 -22.01 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 131.499 3.92 . . . . 0.0 114.244 163.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.89 -24.7 0.15 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.04 2.136 . . . . 0.0 114.507 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -48.99 -40.74 31.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.756 2.422 . . . . 0.0 115.04 165.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.49 -72.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.58 0.61 . . . . 0.0 113.795 -165.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -160.25 -50.58 0.05 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -160.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 158.28 3.94 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 130.886 3.674 . . . . 0.0 113.323 -157.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -121.62 93.66 4.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.297 1.839 . . . . 0.0 109.611 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.53 122.81 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.774 2.43 . . . . 0.0 111.279 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.251 0.3 OUTLIER -87.11 169.98 11.91 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 120.057 1.299 . . . . 0.0 114.213 167.461 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.59 -36.56 67.02 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.223 1.809 . . . . 0.0 112.8 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.02 -11.02 55.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.844 2.058 . . . . 0.0 112.986 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -127.59 -45.79 1.47 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 126.977 2.111 . . . . 0.0 108.649 -158.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 60.7 t80 -40.04 -62.0 0.79 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.784 151.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.2 tp -57.61 -37.79 60.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.24 -47.78 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.998 0.817 . . . . 0.0 110.761 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -83.51 -22.33 32.5 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.3 -51.35 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.903 1.281 . . . . 0.0 108.912 159.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.16 -7.48 9.17 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.78 13.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.23 1.377 . . . . 0.0 111.686 161.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mm -51.26 -48.64 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.95 1.7 . . . . 0.0 110.809 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -53.95 -24.35 16.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.6 m -94.87 -34.53 12.41 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.118 0.967 . . . . 0.0 111.268 172.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.4 -9.74 59.0 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.522 1.529 . . . . 0.0 114.701 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.435 ' C ' ' H ' ' B' ' 87' ' ' LYS . 0.7 OUTLIER -55.74 -11.18 0.88 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 128.594 2.757 . . . . 0.0 115.822 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -54.06 11.18 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 129.218 3.007 . . . . 0.0 115.758 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' B' ' 85' ' ' SER . 40.1 mmtm -91.08 -16.47 27.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 113.655 172.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -111.68 -31.7 6.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -148.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' B' ' 91' ' ' LYS . 11.9 t80 -80.05 28.29 0.3 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 121.974 2.17 . . . . 0.0 110.915 167.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 57.9 -38.26 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.331 1.853 . . . . 0.0 112.476 -134.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' B' ' 89' ' ' PHE 0.283 0.0 OUTLIER -114.39 -134.71 0.35 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.855 2.062 . . . . 0.0 112.185 170.783 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -45.92 95.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.797 2.439 . . . . 0.0 113.262 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.16 63.02 1.36 Allowed Glycine 0 N--CA 1.469 0.848 0 C-N-CA 126.643 2.068 . . . . 0.0 115.516 -168.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 46.2 tp 49.83 70.33 0.51 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 108.83 -159.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.356 0.0 OUTLIER . . . . . 0 C--O 1.251 1.148 0 C-N-CA 131.055 3.742 . . . . 0.0 111.049 -159.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.084 0.469 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -150.4 -169.32 3.35 Favored 'General case' 0 N--CA 1.472 0.666 1 C-N-CA 132.834 4.454 . . . . 0.0 106.019 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.71 -52.93 63.02 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 122.251 2.296 . . . . 0.0 111.508 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.43 -54.96 18.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.958 1.703 . . . . 0.0 110.421 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.08 -23.94 51.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.53 68.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.464 1.484 . . . . 0.0 110.828 170.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.5 92.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.918 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -34.01 76.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.93 1.241 . . . . 0.0 114.287 168.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.0 -28.89 7.92 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.142 163.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 mtt -80.68 -27.22 37.15 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.023 1.912 . . . . 0.0 113.682 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.258 0.0 OUTLIER -90.68 -25.78 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 120.724 1.602 . . . . 0.0 112.877 172.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.56 -32.14 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.573 154.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.06 -31.28 70.81 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 121.111 1.778 . . . . 0.0 113.331 168.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.02 -31.23 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.253 1.842 . . . . 0.0 111.451 167.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.31 -10.68 59.0 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.899 1.28 . . . . 0.0 114.296 168.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . 0.274 0.0 OUTLIER -94.55 -23.09 17.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.638 1.575 . . . . 0.0 113.884 171.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -64.08 0.97 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.214 1.806 . . . . 0.0 111.467 164.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.99 -67.15 0.86 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.769 0.828 . . . . 0.0 111.926 -168.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 4.34 1.33 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.618 1.967 . . . . 0.0 115.363 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.81 55.17 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.089 1.328 . . . . 0.0 115.857 170.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t 105.89 -83.09 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.456 1 C-N-CA 132.298 4.239 . . . . 0.0 105.185 -173.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.49 70.2 1.38 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 122.01 0.909 . . . . 0.0 108.899 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.11 44.77 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 116.474 -2.292 . . . . 0.0 113.372 165.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.31 46.5 m -24.47 11.05 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 2 C-N-CA 136.807 6.043 . . . . 0.0 123.179 -151.982 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.7 p -53.67 -65.64 0.53 Allowed 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 123.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -78.49 71.1 4.93 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.691 1.596 . . . . 0.0 110.539 165.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -62.95 172.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 126.203 1.801 . . . . 0.0 111.9 141.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.18 77.47 1.28 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.559 1.171 . . . . 0.0 110.178 155.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -61.06 153.4 25.55 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.505 153.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -46.0 -33.25 3.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.965 2.106 . . . . 0.0 113.233 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.54 -26.02 52.18 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.599 1.095 . . . . 0.0 115.438 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -79.74 -51.71 8.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.295 1.838 . . . . 0.0 109.094 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.32 -36.16 41.35 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.564 2.745 . . . . 0.0 113.976 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -61.78 -47.8 83.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -171.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -67.82 -42.77 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.243 0.929 . . . . 0.0 110.113 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -45.49 -36.21 4.33 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.273 1.829 . . . . 0.0 112.391 168.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.39 -20.17 44.65 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.87 -13.14 61.33 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.643 1.11 . . . . 0.0 112.054 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -129.53 -43.97 1.25 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.012 2.525 . . . . 0.0 110.292 -150.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -126.66 -5.96 6.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.402 1.481 . . . . 0.0 113.903 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.36 37.23 0.36 Allowed Pre-proline 0 CA--C 1.559 1.32 0 CA-C-N 120.113 1.324 . . . . 0.0 114.467 167.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.69 146.65 75.76 Favored 'Trans proline' 0 C--N 1.357 1.024 0 CA-C-N 121.757 1.663 . . . . 0.0 111.857 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.63 -50.2 1.15 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.646 1.117 . . . . 0.0 111.997 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -60.15 -17.38 40.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.352 1.076 . . . . 0.0 111.688 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.61 -1.03 22.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.576 1.951 . . . . 0.0 114.727 173.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -22.85 63.99 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.615 1.098 . . . . 0.0 112.441 159.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -102.48 -44.08 5.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.549 1.94 . . . . 0.0 111.418 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.79 -34.37 0.28 Allowed Glycine 0 N--CA 1.476 1.325 0 C-N-CA 127.175 2.321 . . . . 0.0 118.615 156.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -163.41 -18.66 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.226 2.21 . . . . 0.0 113.795 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.12 52.41 2.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.614 1.197 . . . . 0.0 114.146 -144.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.67 -18.58 0.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.174 2.59 . . . . 0.0 113.996 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -91.26 -22.55 20.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 113.541 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.25 179.63 6.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.503 1.521 . . . . 0.0 111.456 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t 59.76 -64.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.006 2.122 . . . . 0.0 109.745 -156.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -48.61 -40.39 27.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.409 2.284 . . . . 0.0 113.011 169.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.41 -15.06 26.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.53 1.43 19.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.187 0.595 . . . . 0.0 111.059 162.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -111.95 -63.49 1.41 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.911 2.884 . . . . 0.0 109.807 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -26.34 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 0.0 115.861 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.5 -38.17 74.28 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.364 0.665 . . . . 0.0 111.939 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -38.19 10.42 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.893 1.677 . . . . 0.0 113.145 -172.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -23.1 -36.34 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 1 C-N-CA 132.272 4.229 . . . . 0.0 115.848 162.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.45 -25.46 36.57 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.869 2.067 . . . . 0.0 114.989 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.63 -9.99 54.84 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.899 1.68 . . . . 0.0 111.817 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.14 -70.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-N 120.296 1.407 . . . . 0.0 114.891 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -154.51 -59.15 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -171.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 143.41 -50.8 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.473 3.509 . . . . 0.0 107.4 -155.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.28 90.15 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.468 -0.77 . . . . 0.0 110.317 156.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.36 114.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.908 2.483 . . . . 0.0 112.83 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.27 174.24 10.9 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 127.338 2.255 . . . . 0.0 113.41 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -63.32 -36.78 84.82 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.519 -1.363 . . . . 0.0 113.3 -167.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 -46.65 72.4 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.524 0.73 . . . . 0.0 110.929 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.33 -49.71 73.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.375 1.07 . . . . 0.0 109.738 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -55.53 -67.95 0.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.202 1.001 . . . . 0.0 111.67 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -55.78 -40.45 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 119.714 1.143 . . . . 0.0 113.222 -169.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -57.76 -47.42 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 0.0 111.307 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.5 -16.39 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -51.96 -49.2 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 120.036 1.289 . . . . 0.0 108.718 160.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.5 -7.38 19.4 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.26 -33.75 17.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.584 1.084 . . . . 0.0 111.605 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -58.61 -45.92 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.487 1.494 . . . . 0.0 111.544 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -56.92 -17.93 11.44 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 m -102.98 -28.58 11.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.679 1.992 . . . . 0.0 111.83 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.16 67.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.98 -1.7 . . . . 0.0 111.934 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m -68.39 0.35 4.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.834 166.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 87' ' ' LYS . 27.1 p-80 -34.49 -66.55 0.17 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.154 2.182 . . . . 0.0 114.611 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' H ' ' CD2' ' A' ' 86' ' ' HIS . 39.8 mmtm 42.12 -74.75 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.758 3.223 . . . . 0.0 114.582 -173.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -96.16 -28.05 14.75 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.379 1.472 . . . . 0.0 114.122 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.367 3.3 p90 41.1 18.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.187 1 C-N-CA 132.47 4.308 . . . . 0.0 120.49 175.058 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -17.12 62.65 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.621 -0.674 . . . . 0.0 111.957 144.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -118.84 -118.13 0.31 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.576 2.751 . . . . 0.0 108.785 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.9 p -136.02 80.79 1.85 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 130.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.12 -52.98 0.57 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 128.072 2.749 . . . . 0.0 113.182 -170.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.47 1.27 0.6 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 129.87 3.268 . . . . 0.0 113.079 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--O 1.248 1.004 0 C-N-CA 128.766 2.826 . . . . 0.0 112.95 -176.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.032 -0.509 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 76.4 p -144.3 -92.94 0.11 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.218 1.407 . . . . 0.0 110.394 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -143.52 -56.04 0.39 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 128.398 2.679 . . . . 0.0 107.347 171.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -49.01 -55.92 10.52 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.299 1.839 . . . . 0.0 111.516 157.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -74.69 -17.89 60.6 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.454 -0.779 . . . . 0.0 112.938 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.52 70.51 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.333 1.424 . . . . 0.0 110.839 171.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.18 95.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.073 0.949 . . . . 0.0 110.773 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 75.1 mtm -62.0 -34.63 76.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 171.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.99 9.71 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-O 119.165 -0.797 . . . . 0.0 113.327 163.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mtp -80.83 -37.38 30.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.105 1.452 . . . . 0.0 113.006 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -33.8 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 120.75 1.614 . . . . 0.0 111.984 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mm -58.18 -33.6 47.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.785 0.834 . . . . 0.0 110.321 161.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.21 -36.99 64.01 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.385 -1.447 . . . . 0.0 114.58 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.64 -26.26 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.31 1.868 . . . . 0.0 110.642 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -66.13 -43.48 86.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.288 -0.882 . . . . 0.0 113.097 162.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -52.15 -29.53 22.46 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.464 1.506 . . . . 0.0 113.85 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -54.41 -23.82 17.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.725 1.61 . . . . 0.0 113.667 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -127.84 -70.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.084 1.353 . . . . 0.0 110.173 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . 0.273 0.9 OUTLIER -138.3 17.0 2.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -2.46 13.8 Favored Glycine 0 CA--C 1.54 1.633 0 O-C-N 121.272 -0.892 . . . . 0.0 112.214 142.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 12.8 m -47.77 -29.72 3.36 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.336 1.854 . . . . 0.0 112.689 149.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . 0.389 19.0 pt-20 37.82 17.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 1 C-N-CA 133.075 4.55 . . . . 0.0 119.32 171.07 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.58 65.76 0.28 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 142.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 m -63.8 30.76 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.42 3.088 . . . . 0.0 116.088 -167.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 52.5 m -67.26 -44.39 79.49 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.696 -1.253 . . . . 0.0 109.421 144.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -97.74 86.91 3.9 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 122.386 1.089 . . . . 0.0 108.888 159.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.307 32.9 p -69.74 174.58 4.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.821 3.648 . . . . 0.0 112.148 143.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.15 86.36 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.296 1.046 . . . . 0.0 109.142 153.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -66.53 154.02 41.45 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.093 -1.004 . . . . 0.0 109.208 150.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -51.89 -34.07 39.62 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 112.851 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -22.82 70.16 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.735 1.16 . . . . 0.0 114.795 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.31 -48.3 9.19 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.183 1.393 . . . . 0.0 109.707 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tt -47.25 -48.53 24.5 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 127.927 2.491 . . . . 0.0 113.85 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.58 -42.9 16.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -171.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.22 -25.03 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.511 1.124 . . . . 0.0 111.835 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -75.74 -38.85 58.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.103 1.361 . . . . 0.0 111.682 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmt -60.48 -33.37 72.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.233 1.013 . . . . 0.0 112.75 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.95 -30.41 24.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.128 1.771 . . . . 0.0 112.609 171.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -101.22 -43.39 6.0 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.409 1.884 . . . . 0.0 110.256 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -87.6 -35.33 18.14 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER -151.12 65.34 6.67 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.37 127.6 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.302 3.335 . . . . 0.0 113.725 153.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.78 -56.95 0.69 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.839 1.209 . . . . 0.0 111.186 -171.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -59.08 -23.75 62.32 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.121 0.96 . . . . 0.0 112.018 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.27 -9.67 34.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.507 2.323 . . . . 0.0 113.685 173.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -65.75 -27.93 68.67 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.748 1.158 . . . . 0.0 112.173 164.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -92.78 -49.87 5.85 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 110.557 164.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.59 -7.25 0.09 OUTLIER Glycine 0 CA--C 1.543 1.797 0 N-CA-C 118.402 2.121 . . . . 0.0 118.402 170.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.382 0.0 OUTLIER 118.93 105.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 134.241 5.017 . . . . 0.0 111.978 168.167 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.12 -1.68 7.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.109 2.164 . . . . 0.0 111.652 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 133.98 -29.35 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 1 C-N-CA 132.541 4.337 . . . . 0.0 111.185 -146.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.07 176.06 5.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.54 -67.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 1 C-N-CA 131.863 4.065 . . . . 0.0 116.553 163.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -53.17 -39.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.85 0.86 . . . . 0.0 108.886 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.58 -29.33 70.35 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 171.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -88.64 -45.77 9.58 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.267 1.394 . . . . 0.0 111.509 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -53.02 -12.75 0.36 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.145 1.778 . . . . 0.0 112.792 160.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -90.53 -68.84 0.76 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.223 1.009 . . . . 0.0 111.57 156.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HE2' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -52.05 -31.06 28.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.033 2.533 . . . . 0.0 115.474 -164.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.29 -50.02 50.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -34.67 26.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.819 1.648 . . . . 0.0 113.541 -175.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.416 ' OD2' ' HE2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -33.27 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 130.594 3.558 . . . . 0.0 114.846 167.591 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.56 65.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.564 1.946 . . . . 0.0 114.775 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -13.99 46.84 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.142 1.377 . . . . 0.0 111.272 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.26 -94.31 0.74 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.026 1.298 . . . . 0.0 112.193 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -150.51 -39.79 0.13 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.768 1.227 . . . . 0.0 112.673 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 173.22 -42.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 131.511 3.925 . . . . 0.0 109.147 -172.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.92 100.01 1.88 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.936 1.294 . . . . 0.0 109.986 171.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -75.29 108.91 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.149 2.179 . . . . 0.0 113.739 -171.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.25 171.62 14.22 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.789 2.036 . . . . 0.0 113.382 165.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -59.01 -35.54 73.44 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.01 1.324 . . . . 0.0 113.531 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -60.13 -53.69 54.77 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.319 0.963 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.47 -50.96 70.21 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.635 1.574 . . . . 0.0 109.615 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -55.57 -64.77 0.74 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.327 1.051 . . . . 0.0 112.164 175.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -58.54 -40.27 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 119.206 0.912 . . . . 0.0 112.367 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.48 -49.59 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.371 1.068 . . . . 0.0 111.298 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -85.01 -18.34 34.72 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -50.7 -47.51 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 119.951 1.25 . . . . 0.0 109.306 163.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -12.78 54.65 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.68 -36.83 21.63 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.797 1.18 . . . . 0.0 111.454 163.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -56.73 -44.67 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.278 1.431 . . . . 0.0 111.309 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -62.16 5.87 0.09 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.5 p -117.57 -39.55 3.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.144 1.778 . . . . 0.0 112.087 161.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.19 2.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.124 1.77 . . . . 0.0 114.16 -174.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 67.1 p -62.21 -41.63 98.55 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.274 0.943 . . . . 0.0 109.716 171.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -61.27 -58.96 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.527 2.331 . . . . 0.0 114.464 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.19 -46.09 0.22 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.542 1.937 . . . . 0.0 111.458 -154.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.89 -56.62 0.51 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.613 1.565 . . . . 0.0 112.549 157.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -152.01 98.45 2.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.967 2.107 . . . . 0.0 109.239 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . 0.283 4.9 pm0 32.25 -24.11 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.978 1 C-N-CA 132.613 4.365 . . . . 0.0 119.975 -154.89 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.91 -40.2 0.41 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 131.04 3.736 . . . . 0.0 110.912 162.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.253 9.4 t 144.0 60.4 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 1 C-N-CA 135.235 5.414 . . . . 0.0 108.759 -168.041 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.23 -6.32 78.57 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.65 2.071 . . . . 0.0 116.078 -164.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.51 -38.83 0.4 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.203 1.001 . . . . 0.0 111.678 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--O 1.257 1.482 0 C-N-CA 126.55 1.94 . . . . 0.0 108.664 164.237 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 119.921 -0.085 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -154.32 -175.12 5.25 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.446 3.099 . . . . 0.0 108.668 -169.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.3 -46.37 79.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.94 1.7 . . . . 0.0 112.593 172.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -46.1 55.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.904 0.881 . . . . 0.0 111.325 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.28 -16.19 61.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.777 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.88 -28.87 27.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.422 1.464 . . . . 0.0 112.283 171.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.7 96.03 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.159 0.891 . . . . 0.0 109.932 164.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 49.9 mtm -63.02 -34.39 77.46 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.032 -1.042 . . . . 0.0 113.786 163.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.17 -47.33 5.42 Favored Glycine 0 C--O 1.213 -1.177 0 CA-C-O 116.585 -2.231 . . . . 0.0 111.228 161.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.3 mtp -70.08 -26.54 64.04 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.608 2.204 . . . . 0.0 114.868 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 mt -78.05 -47.86 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 120.891 -1.131 . . . . 0.0 109.666 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mm -54.09 -28.14 17.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.858 1.663 . . . . 0.0 110.319 162.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.9 -40.72 31.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.507 1.523 . . . . 0.0 111.745 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -37.8 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 122.107 2.23 . . . . 0.0 110.423 165.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.59 -14.1 61.54 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.696 1.198 . . . . 0.0 113.168 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -100.45 -8.16 23.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.483 1.913 . . . . 0.0 112.879 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -77.06 -64.04 1.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.746 2.018 . . . . 0.0 109.551 161.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -88.48 -67.1 0.85 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.089 0.956 . . . . 0.0 112.168 -160.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.51 -8.24 1.17 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 158.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.94 -4.11 8.53 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.466 1.508 . . . . 0.0 115.999 167.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m 126.11 -74.75 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.603 1 C-N-CA 133.736 4.814 . . . . 0.0 105.92 -170.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -150.78 178.13 9.42 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.276 2.63 . . . . 0.0 108.263 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' THR . . . 156.3 -32.96 0.59 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.885 1.231 . . . . 0.0 112.218 -173.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.325 1.3 t 35.82 21.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 130.602 3.561 . . . . 0.0 117.701 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 23' ' ' GLY . 21.4 p -68.66 -36.52 78.67 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.321 1.448 . . . . 0.0 111.921 111.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -132.84 77.46 1.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 130.214 3.406 . . . . 0.0 105.999 -176.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p -33.66 153.8 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.736 2 C-N-CA 139.719 7.208 . . . . 0.0 119.922 60.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.29 67.6 2.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.585 1.154 . . . . 0.0 110.067 167.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 146.9 7.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 145.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -35.09 -40.3 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.97 2.508 . . . . 0.0 113.544 171.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 -27.25 55.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.635 1.112 . . . . 0.0 115.546 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.94 -55.26 5.62 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.123 1.461 . . . . 0.0 108.711 168.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -41.62 -42.15 2.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 129.272 3.029 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -59.13 -35.48 73.54 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.84 -14.91 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.684 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -81.69 -24.44 36.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.639 2.376 . . . . 0.0 112.042 166.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 39' ' ' LYS . 34.8 mmm -79.13 -52.72 7.81 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.919 -1.113 . . . . 0.0 112.945 -164.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.33 3.13 0.2 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.306 2.242 . . . . 0.0 113.996 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' A' ' 37' ' ' MET . 21.1 tptt -142.73 -52.02 0.38 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 128.81 2.844 . . . . 0.0 109.169 -146.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -123.52 -0.33 8.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.8 28.38 0.16 Allowed Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 167.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -34.18 -14.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.36 2 C-N-CA 127.523 5.482 . . . . 0.0 123.05 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.41 52.38 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 121.472 1.942 . . . . 0.0 115.195 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.91 -5.85 58.35 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.055 1.427 . . . . 0.0 111.769 169.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.1 3.67 29.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.649 2.379 . . . . 0.0 111.478 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.4 -26.29 67.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.43 2.292 . . . . 0.0 111.603 165.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -89.55 -30.28 18.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.801 0.84 . . . . 0.0 112.038 158.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.06 4.33 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 125.984 1.754 . . . . 0.0 113.532 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -162.51 -75.54 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.284 2.233 . . . . 0.0 108.998 149.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 30.0 t70 15.09 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.7 3.2 . . . . 0.0 113.983 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 -10.91 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -172.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 50' ' ' ASP . 79.0 m-20 -106.26 2.28 26.64 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.48 2.312 . . . . 0.0 112.657 -171.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.9 -168.42 3.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.006 1.722 . . . . 0.0 109.193 143.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.0 t 62.99 -63.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.02 2.128 . . . . 0.0 109.824 -162.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.28 -34.92 11.17 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.186 2.194 . . . . 0.0 112.618 164.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -94.74 -11.15 29.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.81 5.8 46.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.023 0.929 . . . . 0.0 110.672 163.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -108.35 -70.25 0.81 Allowed 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.128 2.971 . . . . 0.0 107.398 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -34.44 4.05 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.799 2.44 . . . . 0.0 115.956 -172.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -49.94 74.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.477 1.511 . . . . 0.0 112.319 173.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -34.91 13.46 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.437 1.895 . . . . 0.0 113.391 -171.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.36 -24.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 1 C-N-CA 133.074 4.549 . . . . 0.0 115.644 166.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.31 70.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.247 1.819 . . . . 0.0 115.054 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -18.45 48.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.189 0.996 . . . . 0.0 111.346 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.38 -88.87 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 125.395 1.474 . . . . 0.0 112.252 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -154.46 -40.39 0.09 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 168.83 -36.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 131.161 3.784 . . . . 0.0 109.524 -173.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.95 76.68 2.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.128 0.971 . . . . 0.0 110.993 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -45.98 103.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 128.035 2.534 . . . . 0.0 112.364 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.63 167.09 17.66 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.952 2.501 . . . . 0.0 112.582 163.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -56.89 -36.74 70.47 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.023 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -49.54 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.526 1.13 . . . . 0.0 111.131 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.38 -47.48 85.61 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.371 0.668 . . . . 0.0 109.362 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -59.77 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.643 1.177 . . . . 0.0 112.455 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.2 tp -51.32 -43.42 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.01 -50.25 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.979 1.312 . . . . 0.0 111.154 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -81.01 -18.75 45.75 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -58.52 -47.35 88.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 119.732 1.151 . . . . 0.0 107.996 164.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.95 1.32 0.94 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 168.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.81 -39.96 9.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.872 1.214 . . . . 0.0 111.308 156.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -54.72 -36.34 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.732 2.413 . . . . 0.0 111.952 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.509 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.1 t -43.3 -53.8 5.0 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.234 1.379 . . . . 0.0 111.444 169.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 m -74.37 -57.07 4.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 0.0 111.246 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.41 66.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -77.36 -12.55 59.97 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.75 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.158 1.783 . . . . 0.0 112.21 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt 47.32 -7.86 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 129.891 3.276 . . . . 0.0 118.803 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.08 -19.97 1.48 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -161.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -155.65 -131.0 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 122.291 2.314 . . . . 0.0 112.968 162.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -28.22 69.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.675 1.125 . . . . 0.0 111.259 168.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.536 ' CG ' ' H ' ' A' ' 92' ' ' THR 0.263 0.0 OUTLIER -131.26 -105.06 0.27 Allowed 'General case' 0 CA--C 1.537 0.444 1 C-N-CA 132.321 4.248 . . . . 0.0 103.907 179.173 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.536 ' H ' ' CG ' ' A' ' 91' ' ' LYS . 56.1 p -119.05 4.13 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.451 2.3 . . . . 0.0 112.272 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.79 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.528 0.844 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -158.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 pp -136.86 -5.03 1.94 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.26 2.224 . . . . 0.0 115.299 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.444 ' HZ1' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.25 0 CA-C-N 120.349 1.431 . . . . 0.0 109.98 172.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 9.9 p -146.16 -179.79 6.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.005 2.122 . . . . 0.0 110.245 -169.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -53.66 -51.77 62.09 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 121.486 1.948 . . . . 0.0 112.156 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.88 -38.24 64.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.444 ' CD ' ' HZ1' ' A' ' 95' ' ' LYS . 98.8 mt-10 -76.24 -37.71 57.3 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.216 -0.927 . . . . 0.0 112.945 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.88 77.88 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.971 0.909 . . . . 0.0 110.161 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.42 64.9 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.178 0.591 . . . . 0.0 110.969 164.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.509 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 6.7 mtm -63.09 -37.0 85.47 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.71 -52.53 6.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 160.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mtt -61.52 -49.02 78.39 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 115.123 -2.37 . . . . 0.0 113.908 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -68.82 -34.51 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 124.849 3.477 . . . . 0.0 113.398 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mm -56.71 -44.31 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.313 0.96 . . . . 0.0 109.303 164.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.458 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 15.1 t70 -82.04 -3.18 54.0 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.67 -21.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 126.193 1.797 . . . . 0.0 109.782 165.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' CG ' ' B' ' 74' ' ' PHE . 62.4 t80 -84.91 -43.15 14.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.404 1.081 . . . . 0.0 112.158 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 17.0 t -29.64 -55.91 0.16 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 129.752 3.221 . . . . 0.0 114.12 168.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -33.62 -46.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.656 1 C-N-CA 132.001 4.121 . . . . 0.0 114.541 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -107.78 -54.76 2.45 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.535 1.134 . . . . 0.0 109.624 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.9 p -160.16 22.01 0.16 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -15.93 57.48 Favored Glycine 0 N--CA 1.477 1.413 0 O-C-N 120.262 -1.524 . . . . 0.0 111.601 150.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.9 m -61.76 -22.98 65.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.752 2.021 . . . . 0.0 114.08 162.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.88 -163.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.904 1.682 . . . . 0.0 112.3 -165.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.35 47.17 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.798 -1.189 . . . . 0.0 110.21 -164.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . 0.303 3.8 p -61.23 38.21 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 1 C-N-CA 131.743 4.017 . . . . 0.0 118.806 -159.662 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 37.5 p -58.44 -36.91 74.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.996 118.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.22 103.39 6.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.484 3.113 . . . . 0.0 105.819 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p 17.91 140.75 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.073 3 C-N-CA 142.109 8.164 . . . . 0.0 119.852 18.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.401 HD12 ' CE1' ' B' ' 15' ' ' PHE . 9.9 mp -67.77 77.81 0.2 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 122.78 1.276 . . . . 0.0 107.968 156.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -55.25 144.47 24.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 139.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -45.85 -28.45 1.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.186 2.594 . . . . 0.0 113.834 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.36 -25.71 46.52 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.51 1.052 . . . . 0.0 115.008 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.24 -50.92 10.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.096 1.448 . . . . 0.0 109.602 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 tt -43.6 -35.8 1.88 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 128.005 2.522 . . . . 0.0 114.504 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -66.26 -41.26 90.17 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.46 -37.26 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.202 0.91 . . . . 0.0 110.295 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -51.25 -28.33 11.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.763 2.025 . . . . 0.0 112.06 165.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -22.9 23.52 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.842 -1.786 . . . . 0.0 113.955 -170.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.29 -10.57 52.13 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 112.41 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 -52.87 1.02 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.787 2.435 . . . . 0.0 109.515 -149.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -106.32 -16.49 14.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.424 1.889 . . . . 0.0 112.637 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.68 44.27 1.28 Allowed Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.77 144.24 35.48 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 121.965 1.738 . . . . 0.0 113.806 170.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.03 -21.28 28.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.247 1.403 . . . . 0.0 114.486 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.27 -15.08 60.54 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.764 1.226 . . . . 0.0 110.103 163.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -1.31 42.43 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.106 2.563 . . . . 0.0 114.168 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -27.25 65.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.985 0.514 . . . . 0.0 111.384 160.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -99.64 -53.9 3.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.249 1.419 . . . . 0.0 111.625 165.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.81 6.17 6.26 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 117.842 1.897 . . . . 0.0 117.842 168.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.439 0.0 OUTLIER 111.05 92.52 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 1 C-N-CA 133.937 4.895 . . . . 0.0 110.854 -179.074 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -136.7 12.11 3.17 Favored 'General case' 0 CA--C 1.548 0.88 1 C-N-CA 132.402 4.281 . . . . 0.0 109.245 -177.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 69.14 0.37 2.79 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.164 2.585 . . . . 0.0 114.045 -166.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -115.13 -8.22 12.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.71 1.604 . . . . 0.0 114.267 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.86 -176.93 4.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.346 1.458 . . . . 0.0 112.003 154.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t 59.2 -62.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 127.313 2.245 . . . . 0.0 109.529 -155.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.1 -27.19 13.19 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 113.501 167.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -102.82 -3.0 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.57 -0.99 56.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.654 0.782 . . . . 0.0 109.478 159.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.08 -78.31 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.818 2.847 . . . . 0.0 108.219 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -41.44 -42.89 2.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.865 3.266 . . . . 0.0 115.537 -169.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' B' ' 77' ' ' PHE . 0.8 OUTLIER -45.85 -55.82 6.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.698 1.999 . . . . 0.0 112.874 169.578 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.75 -38.61 10.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.161 2.185 . . . . 0.0 112.98 -173.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -37.28 -22.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 131.392 3.877 . . . . 0.0 114.749 162.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.25 -32.48 0.18 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.545 1.538 . . . . 0.0 114.829 158.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -97.5 -12.79 22.21 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.263 1.425 . . . . 0.0 113.402 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.81 20.61 1.0 Allowed Glycine 0 CA--C 1.539 1.566 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -164.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 69.93 -40.47 0.46 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 129.961 3.304 . . . . 0.0 116.199 169.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 167.21 6.2 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 130.794 3.638 . . . . 0.0 113.405 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -128.56 90.47 3.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.858 1.263 . . . . 0.0 109.725 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.64 129.67 35.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 125.9 1.68 . . . . 0.0 112.821 -170.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.95 169.95 10.04 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.722 2.809 . . . . 0.0 112.556 170.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -64.8 -27.42 68.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.36 1.064 . . . . 0.0 113.556 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 65.2 p -62.58 -61.96 2.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.362 0.983 . . . . 0.0 110.647 170.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.07 -50.98 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.661 1.985 . . . . 0.0 110.911 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.405 ' CG ' ' CD1' ' B' ' 15' ' ' PHE . 38.7 t80 -58.45 -61.35 2.65 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 116.832 -1.556 . . . . 0.0 111.756 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.86 -35.53 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 121.718 2.054 . . . . 0.0 113.198 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -57.32 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.22 1.008 . . . . 0.0 110.308 171.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' B' ' 60' ' ' ASP . 14.4 m-85 -80.36 -16.47 54.46 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.79 -48.53 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 125.219 1.408 . . . . 0.0 108.541 158.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.2 2.58 4.46 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.95 -38.14 9.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 111.491 156.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -40.18 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.711 2.404 . . . . 0.0 110.563 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.462 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.2 t -48.75 -43.88 38.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 166.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 39.5 p -71.95 -38.25 69.82 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.506 -0.746 . . . . 0.0 111.159 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.52 61.96 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.5 t -53.08 -20.23 3.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.176 2.59 . . . . 0.0 112.739 171.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -42.42 -13.62 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.475 3.51 . . . . 0.0 115.534 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -43.88 -22.23 0.05 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.526 2.33 . . . . 0.0 115.476 168.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -86.34 -29.49 22.94 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.282 1.833 . . . . 0.0 113.93 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' B' ' 91' ' ' LYS . 40.6 m-85 48.67 -9.71 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 172.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.98 5.7 4.89 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 122.218 2.281 . . . . 0.0 113.961 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' B' ' 89' ' ' PHE . 0.2 OUTLIER 166.25 142.7 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 2 C-N-CA 136.736 6.014 . . . . 0.0 99.494 -148.905 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.278 72.6 p -77.9 69.55 4.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 121.188 1.813 . . . . 0.0 109.343 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.23 -22.62 0.01 OUTLIER Glycine 0 C--N 1.338 0.645 1 C-N-CA 135.466 6.27 . . . . 0.0 120.203 -171.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.2 -1.86 0.19 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.069 1.748 . . . . 0.0 113.984 167.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.66 1.184 . . . . 0.0 114.036 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p -156.78 -174.16 4.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.063 2.945 . . . . 0.0 108.756 -162.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -56.61 -51.71 67.62 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 122.15 2.25 . . . . 0.0 111.497 168.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.36 -56.78 15.1 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.395 1.878 . . . . 0.0 110.889 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.17 -23.99 51.52 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.3 -39.47 65.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.375 1.443 . . . . 0.0 111.029 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.0 88.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.653 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtm -64.81 -29.66 70.63 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.04 -33.06 20.94 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 117.764 -1.576 . . . . 0.0 112.815 161.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.7 mtt -75.68 -39.08 58.11 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.131 1.965 . . . . 0.0 112.823 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.256 0.0 OUTLIER -82.48 -29.97 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.745 1.157 . . . . 0.0 113.726 177.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.66 -31.5 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 117.161 -1.4 . . . . 0.0 110.894 162.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.58 -58.16 9.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 121.554 1.979 . . . . 0.0 110.307 165.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -45.42 -41.58 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.974 1.261 . . . . 0.0 111.914 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -67.02 -54.89 17.36 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 168.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -59.28 0.47 0.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.977 2.511 . . . . 0.0 114.555 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -114.66 -43.71 3.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 131.583 3.953 . . . . 0.0 111.051 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.28 -42.41 10.4 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 p -64.68 -30.91 71.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.03 -1.044 . . . . 0.0 111.205 157.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.97 0.75 76.9 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-O 117.907 -1.496 . . . . 0.0 114.799 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.7 m 130.81 -22.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 1 C-N-CA 132.002 4.121 . . . . 0.0 112.213 -174.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.28 152.86 20.86 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -154.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.11 81.4 0.32 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.124 1.821 . . . . 0.0 109.194 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -164.26 -118.33 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 117.277 0.538 . . . . 0.0 111.596 -134.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -106.8 -4.08 19.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.763 2.425 . . . . 0.0 112.672 157.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -141.64 66.65 1.35 Allowed 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 127.993 2.517 . . . . 0.0 107.016 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.7 p 17.1 126.84 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.123 3 C-N-CA 135.398 5.479 . . . . 0.0 117.361 37.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.43 73.59 0.73 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 166.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.2 147.07 8.12 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 144.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -35.53 -37.3 0.09 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.536 2.735 . . . . 0.0 113.675 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.57 -27.04 48.93 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.541 1.067 . . . . 0.0 115.517 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.8 -52.49 8.27 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.325 1.45 . . . . 0.0 109.265 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tt -44.64 -35.13 2.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.094 2.958 . . . . 0.0 114.347 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -66.14 -41.85 89.89 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -47.88 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 119.933 1.242 . . . . 0.0 109.977 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.37 -30.32 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 113.815 161.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.07 -18.32 23.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 120.22 1.373 . . . . 0.0 113.921 -176.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.42 -31.73 72.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.09 1.314 . . . . 0.0 110.084 165.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.76 -64.11 1.19 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 129.697 3.199 . . . . 0.0 112.802 -170.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.74 -11.19 14.0 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.79 1.636 . . . . 0.0 112.069 -164.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.22 36.14 0.3 Allowed Pre-proline 0 CA--C 1.561 1.368 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 166.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.91 145.53 73.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 CA-C-N 122.544 1.944 . . . . 0.0 112.409 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.55 -37.64 3.36 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.661 1.124 . . . . 0.0 112.686 -170.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.57 -21.64 64.48 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.124 1.462 . . . . 0.0 111.287 168.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.09 1.21 21.84 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.241 2.216 . . . . 0.0 114.868 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -58.85 -29.46 66.97 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.172 0.897 . . . . 0.0 111.258 157.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -93.38 -65.73 0.97 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.699 1.199 . . . . 0.0 109.321 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.27 -13.63 19.96 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 162.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.271 0.0 OUTLIER -177.14 -84.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.04 2.136 . . . . 0.0 109.938 169.778 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 2.8 p30 50.11 2.88 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 128.585 2.754 . . . . 0.0 117.89 166.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.351 0.0 OUTLIER 72.54 -8.42 1.22 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.804 3.242 . . . . 0.0 114.446 -170.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -124.55 14.95 8.83 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.206 1.366 . . . . 0.0 114.315 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.25 173.93 11.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.358 1.063 . . . . 0.0 110.671 153.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t 61.28 -64.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.597 1.559 . . . . 0.0 110.447 -164.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -39.31 -37.48 0.44 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 129.194 2.997 . . . . 0.0 113.691 158.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -98.91 -8.7 25.2 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.17 3.89 44.62 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.728 0.811 . . . . 0.0 110.012 162.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -111.55 -66.56 1.07 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 130.343 3.457 . . . . 0.0 108.7 172.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -32.68 21.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.026 2.131 . . . . 0.0 115.305 -171.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -50.81 72.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.67 1.988 . . . . 0.0 111.426 172.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.49 -37.46 13.14 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.268 1.827 . . . . 0.0 113.322 -170.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -27.57 -35.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 1 C-N-CA 131.745 4.018 . . . . 0.0 115.004 168.048 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.85 34.16 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.856 1.662 . . . . 0.0 115.114 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -6.31 59.12 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.038 1.735 . . . . 0.0 111.285 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.96 -86.62 0.13 Allowed Glycine 0 C--N 1.342 0.888 0 CA-C-N 119.938 1.245 . . . . 0.0 112.514 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -154.7 -42.63 0.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.536 1.134 . . . . 0.0 113.204 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 162.47 -30.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 130.95 3.7 . . . . 0.0 111.167 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.03 93.74 9.44 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 120.926 -1.109 . . . . 0.0 109.612 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 111.57 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.425 1.89 . . . . 0.0 113.492 -170.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.03 168.61 16.71 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 128.919 2.888 . . . . 0.0 113.284 165.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -60.05 -34.95 74.1 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -65.87 -55.16 18.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.395 1.078 . . . . 0.0 110.654 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.14 -49.86 62.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.827 1.251 . . . . 0.0 110.344 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -57.19 -68.38 0.23 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.87 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -53.74 -42.84 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 121.129 1.786 . . . . 0.0 113.2 -172.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -54.73 -52.74 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.321 1.048 . . . . 0.0 110.508 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.58 -13.5 56.44 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.1 t -58.68 -50.56 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 121.219 1.827 . . . . 0.0 107.293 165.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -11.76 8.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.89 -43.19 13.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.565 1.075 . . . . 0.0 111.646 161.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -50.42 -45.34 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 129.329 3.051 . . . . 0.0 112.071 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 t -46.06 -51.53 13.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.748 0.703 . . . . 0.0 112.039 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -70.74 -51.85 24.64 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.258 1.423 . . . . 0.0 112.022 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.69 -11.04 14.75 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.78 2.032 . . . . 0.0 114.341 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.4 p -51.56 -15.03 0.38 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.459 1.503 . . . . 0.0 113.426 159.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.506 ' CD2' ' HZ1' ' A' ' 91' ' ' LYS . 66.2 m80 -97.14 -9.16 28.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.147 1.779 . . . . 0.0 113.477 174.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.6 -30.76 32.93 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.092 1.315 . . . . 0.0 112.24 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.55 -22.89 65.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.705 1.602 . . . . 0.0 113.561 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.272 0.0 OUTLIER 62.53 -42.8 0.18 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.629 2.372 . . . . 0.0 116.119 167.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -54.43 -20.94 8.48 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.24 1.416 . . . . 0.0 111.621 156.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.506 ' HZ1' ' CD2' ' A' ' 86' ' ' HIS . 0.4 OUTLIER -68.8 -71.41 0.22 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 129.877 3.271 . . . . 0.0 111.466 170.541 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 t -133.45 -12.72 2.7 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.07 -15.2 58.11 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 120.029 -1.669 . . . . 0.0 113.59 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.77 18.57 8.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.191 1.796 . . . . 0.0 113.679 164.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 126.512 1.925 . . . . 0.0 111.279 173.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.179 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -140.7 -106.14 0.15 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.822 1.249 . . . . 0.0 110.573 -164.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -127.17 -50.25 1.43 Allowed 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 107.281 158.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -50.14 -55.34 15.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.126 1.37 . . . . 0.0 112.262 164.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 60.2 mt-10 -72.43 -29.96 64.18 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.46 -0.775 . . . . 0.0 112.198 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -38.83 66.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.064 0.847 . . . . 0.0 111.668 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -44.68 76.9 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 124.618 1.167 . . . . 0.0 110.139 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtm -63.06 -31.8 73.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.68 -53.73 3.59 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-O 118.096 -1.391 . . . . 0.0 110.956 157.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mtt -66.14 -39.5 89.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 115.147 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -29.51 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.459 1.481 . . . . 0.0 111.963 174.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.27 -24.24 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 118.673 0.67 . . . . 0.0 110.911 163.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -79.53 -34.2 41.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.971 1.709 . . . . 0.0 112.376 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -59.72 -27.56 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.702 -1.249 . . . . 0.0 111.069 160.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -85.07 -7.27 59.18 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.052 -1.03 . . . . 0.0 113.351 167.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.7 t -101.82 -3.45 27.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.59 1.556 . . . . 0.0 112.975 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.23 -75.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.84 2.456 . . . . 0.0 109.244 164.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.434 ' C ' ' H ' ' B' ' 20' ' ' GLY . 22.9 m-85 -80.47 -71.0 0.48 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 126.402 1.881 . . . . 0.0 110.442 -170.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -61.53 17.58 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.634 1.974 . . . . 0.0 115.4 161.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' B' ' 18' ' ' TYR . . . -53.57 -20.52 11.9 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.356 0.979 . . . . 0.0 113.494 162.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -82.75 6.46 18.02 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.509 1.124 . . . . 0.0 113.955 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 101.8 -117.4 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 130.359 3.464 . . . . 0.0 112.962 163.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.76 23.64 12.99 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 128.845 3.116 . . . . 0.0 111.08 174.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -72.66 -33.62 66.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.5 2.72 . . . . 0.0 118.169 -159.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.582 ' H ' HG22 ' B' ' 27' ' ' THR . 10.9 t 124.92 -12.12 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 131.348 3.859 . . . . 0.0 110.242 -139.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' B' ' 27' ' ' THR . 29.1 mt-30 -141.27 97.28 3.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.291 3.036 . . . . 0.0 103.57 156.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.582 HG22 ' H ' ' B' ' 25' ' ' THR . 4.5 t 21.88 132.43 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.109 2 C-N-CA 138.98 6.912 . . . . 0.0 119.25 -7.118 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.05 73.1 0.19 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.054 1.342 . . . . 0.0 110.1 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -50.64 149.42 3.28 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 139.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -55.15 -28.14 50.66 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.511 1.524 . . . . 0.0 114.014 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.42 -28.12 53.28 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.716 -1.047 . . . . 0.0 114.458 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -78.46 -48.57 15.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.578 1.551 . . . . 0.0 109.184 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -41.34 -46.36 3.27 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 127.838 2.455 . . . . 0.0 113.578 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -66.24 -34.62 78.43 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.76 -22.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.857 0.863 . . . . 0.0 111.952 -169.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.6 -32.31 64.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 130.847 3.659 . . . . 0.0 112.139 166.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -22.68 34.31 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.26 -1.525 . . . . 0.0 113.243 -168.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.44 -27.56 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.701 1.137 . . . . 0.0 111.735 167.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -108.21 -54.59 2.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.128 2.171 . . . . 0.0 110.301 -159.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -113.65 -6.95 13.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.278 1.831 . . . . 0.0 112.471 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -136.1 40.65 0.52 Allowed Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -53.78 141.24 66.02 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.061 1.841 . . . . 0.0 114.131 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.79 -34.82 5.39 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.913 1.721 . . . . 0.0 113.436 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -60.39 -17.96 47.32 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.118 0.959 . . . . 0.0 112.104 162.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.83 16.53 15.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 127.53 2.332 . . . . 0.0 114.373 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -32.83 -30.59 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.694 2.398 . . . . 0.0 115.961 156.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 52.0 m -127.69 1.87 6.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.61 1.964 . . . . 0.0 112.991 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 -55.16 0.08 OUTLIER Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.551 1.072 . . . . 0.0 112.296 -153.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 74.64 138.3 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 130.548 3.539 . . . . 0.0 114.648 167.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -155.64 6.64 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.701 2.0 . . . . 0.0 112.437 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -137.16 -62.65 0.62 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.785 1.634 . . . . 0.0 111.289 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -106.86 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.413 1.885 . . . . 0.0 109.775 173.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.87 -171.02 0.79 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.386 1.448 . . . . 0.0 111.691 165.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 t 59.66 -61.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.04 1.736 . . . . 0.0 109.629 -149.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -54.53 -30.33 53.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.087 1.355 . . . . 0.0 112.676 165.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -95.42 -6.17 41.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.374 1.443 . . . . 0.0 114.336 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -86.09 -1.78 57.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.536 -0.727 . . . . 0.0 109.461 159.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.36 -75.22 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.649 2.38 . . . . 0.0 108.712 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -39.68 5.53 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.435 3.094 . . . . 0.0 115.348 -169.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -48.03 80.53 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.507 1.523 . . . . 0.0 112.231 174.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.02 -44.37 9.36 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.313 1.845 . . . . 0.0 112.456 -174.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -27.34 -35.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.987 1 C-N-CA 132.306 4.243 . . . . 0.0 115.166 165.055 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.75 34.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 0.0 115.506 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -12.13 49.32 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.295 1.438 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.0 -63.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 CA-C-N 120.105 1.32 . . . . 0.0 114.958 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.59 -60.92 0.1 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -168.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.69 -44.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.778 3.631 . . . . 0.0 108.672 -154.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -65.14 84.34 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.613 -0.679 . . . . 0.0 110.744 150.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -50.92 106.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 128.613 2.765 . . . . 0.0 111.4 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 176.0 7.71 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.707 1.14 . . . . 0.0 113.358 166.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -34.89 69.52 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.701 1.6 . . . . 0.0 113.567 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -68.05 -53.68 23.88 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.202 1.401 . . . . 0.0 110.508 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -50.14 -51.12 46.0 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.538 1.535 . . . . 0.0 110.065 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.55 -67.05 0.4 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.309 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.72 -40.31 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.172 1.351 . . . . 0.0 112.541 -170.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.78 -54.3 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.8 1.24 . . . . 0.0 111.343 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.58 -21.33 38.48 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.5 -48.63 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 124.788 1.235 . . . . 0.0 109.253 163.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -8.9 13.46 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.94 -43.8 10.32 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.141 1.337 . . . . 0.0 111.22 162.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -45.28 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.264 2.225 . . . . 0.0 110.778 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -49.8 -54.35 19.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.674 0.67 . . . . 0.0 112.623 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -79.42 -10.94 59.91 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.7 -55.93 5.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.351 0.978 . . . . 0.0 109.823 163.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m -62.21 -7.88 4.84 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.344 1.458 . . . . 0.0 113.829 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.404 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 35.4 m170 -48.15 -25.97 1.7 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.567 1.53 . . . . 0.0 113.008 162.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -16.8 38.15 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 169.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -157.43 46.95 0.39 Allowed 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 127.264 2.226 . . . . 0.0 112.887 168.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' B' ' 86' ' ' HIS . 1.3 t80 -75.25 -72.5 0.3 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.502 -1.999 . . . . 0.0 112.563 -171.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -63.84 0.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 131.383 3.873 . . . . 0.0 103.687 163.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 mttp 17.62 -85.57 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 130.411 3.484 . . . . 0.0 114.265 144.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.48 21.22 7.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.689 1.196 . . . . 0.0 112.135 171.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.1 -22.73 65.0 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.436 1.017 . . . . 0.0 112.288 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 44.1 tp -122.32 -1.9 9.11 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.575 1.95 . . . . 0.0 112.97 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 C-N-CA 126.236 1.814 . . . . 0.0 110.629 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 ttm . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.2 p -158.45 -172.57 3.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.212 3.005 . . . . 0.0 108.536 -160.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.89 -65.05 0.63 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 122.201 2.273 . . . . 0.0 111.85 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -42.21 -54.14 3.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.459 2.704 . . . . 0.0 111.061 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -82.65 -26.01 32.55 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.9 -34.39 44.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.539 1.518 . . . . 0.0 111.518 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.3 77.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.449 0.568 . . . . 0.0 109.774 163.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.42 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 47.4 mtm -63.89 -30.68 71.74 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 169.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.11 -31.71 19.15 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 117.854 -1.525 . . . . 0.0 112.953 161.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 mtt -79.57 -38.76 33.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.196 1.998 . . . . 0.0 113.14 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -30.0 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.516 1.507 . . . . 0.0 112.41 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -66.71 -35.48 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.069 159.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.66 -39.73 95.06 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 121.583 1.992 . . . . 0.0 113.042 172.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.7 -22.96 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 121.039 1.745 . . . . 0.0 112.115 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -81.87 -46.11 14.56 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 112.424 165.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -17.62 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.739 2.015 . . . . 0.0 114.913 171.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -55.6 19.46 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.228 2.211 . . . . 0.0 110.953 162.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -101.35 -55.01 2.64 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.685 1.194 . . . . 0.0 113.366 -161.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -21.96 66.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.508 0.67 . . . . 0.0 110.928 162.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.34 38.26 Favored Glycine 0 CA--C 1.535 1.304 0 O-C-N 120.752 -1.218 . . . . 0.0 114.19 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m 132.85 -22.66 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 1 C-N-CA 131.96 4.104 . . . . 0.0 112.213 -167.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.93 158.69 15.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -158.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.02 77.58 0.39 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 127.635 2.54 . . . . 0.0 109.64 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.46 ' HB3' ' H ' ' A' ' 26' ' ' GLN . 8.1 t -156.01 -136.83 0.06 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -134.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 t -82.58 -9.75 59.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.19 1.396 . . . . 0.0 113.343 149.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' H ' ' HB3' ' A' ' 24' ' ' SER . 34.6 mt-30 -142.24 78.18 1.61 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.383 3.073 . . . . 0.0 108.678 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.9 p 29.87 128.96 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 3 C-N-CA 137.694 6.398 . . . . 0.0 118.664 17.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.87 73.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.333 1.453 . . . . 0.0 110.763 164.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -54.72 152.85 6.56 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.099 0.959 . . . . 0.0 108.464 148.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -45.4 -38.01 5.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.846 2.058 . . . . 0.0 114.324 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.66 -24.46 58.39 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.374 0.988 . . . . 0.0 114.993 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.55 -42.73 16.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.694 1.247 . . . . 0.0 110.363 171.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -49.08 -45.09 42.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.977 1.711 . . . . 0.0 110.89 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -41.09 73.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 m -68.84 -17.91 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 120.029 1.286 . . . . 0.0 113.588 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.43 -39.41 62.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.541 3.137 . . . . 0.0 112.377 165.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mmm -78.73 -26.6 44.72 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -164.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' CD ' ' HZ1' ' A' ' 39' ' ' LYS . 2.2 mt-10 -58.56 -33.86 70.4 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 120.888 1.677 . . . . 0.0 110.764 170.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HZ1' ' CD ' ' A' ' 38' ' ' GLU . 32.5 mmtm -89.1 -50.13 6.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.693 2.397 . . . . 0.0 110.249 -169.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -122.53 -1.78 9.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.73 1.212 . . . . 0.0 114.061 -164.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.68 40.48 0.43 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 124.57 1.148 . . . . 0.0 113.862 164.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.73 140.57 84.64 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.0 1.8 . . . . 0.0 111.904 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.71 8.3 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.9 1.238 . . . . 0.0 113.097 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -69.33 -11.97 61.26 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.082 1.441 . . . . 0.0 111.406 163.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 13.02 21.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.205 1.802 . . . . 0.0 114.269 -177.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -53.88 -31.87 51.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.466 0.575 . . . . 0.0 111.786 161.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.12 -54.71 2.73 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.815 1.646 . . . . 0.0 111.821 166.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.58 33.3 81.36 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.471 0.558 . . . . 0.0 113.939 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 -158.46 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -152.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.18 -32.17 1.08 Allowed 'General case' 0 CA--C 1.558 1.276 1 C-N-CA 132.681 4.392 . . . . 0.0 109.688 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -108.79 -9.2 15.22 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.45 -176.03 5.23 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.913 1.685 . . . . 0.0 111.643 173.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 47.56 -69.2 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 129.852 3.261 . . . . 0.0 116.819 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.97 -46.8 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.526 1.13 . . . . 0.0 109.908 160.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.84 -27.52 64.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.49 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -90.55 -15.6 30.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.725 1.148 . . . . 0.0 112.973 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -73.08 0.1 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 143.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.09 -64.3 0.47 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.394 1.078 . . . . 0.0 112.56 -169.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.7 42.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.279 2.231 . . . . 0.0 115.649 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -48.35 11.37 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 124.587 1.179 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -41.2 66.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.698 0.799 . . . . 0.0 111.535 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.6 -39.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.976 3.71 . . . . 0.0 114.905 169.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.9 45.49 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.06 -10.68 46.53 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.51 -70.04 0.01 OUTLIER Glycine 0 N--CA 1.47 0.96 0 CA-C-N 121.078 1.763 . . . . 0.0 115.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -147.76 -64.06 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.24 -51.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.268 3.427 . . . . 0.0 107.959 -155.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -67.68 97.25 0.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.565 0.746 . . . . 0.0 109.77 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.06 114.47 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.77 2.028 . . . . 0.0 112.85 -171.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.51 168.46 10.91 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.778 2.831 . . . . 0.0 113.633 164.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -62.94 -32.75 74.12 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.767 -1.208 . . . . 0.0 112.41 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.9 p -63.95 -54.41 34.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.103 0.865 . . . . 0.0 110.513 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -48.29 -53.06 18.61 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 126.117 1.767 . . . . 0.0 110.399 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.55 -64.83 0.8 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.093 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -56.25 -37.69 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.169 1.349 . . . . 0.0 112.989 -170.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.3 -50.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.481 1.112 . . . . 0.0 111.194 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -79.54 -22.34 43.99 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.7 t -55.72 -47.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.317 1.047 . . . . 0.0 108.809 165.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.33 -9.69 8.88 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.91 -36.97 13.84 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.323 1.419 . . . . 0.0 111.897 163.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mm -57.44 -43.52 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.908 1.683 . . . . 0.0 110.443 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -60.97 -21.26 63.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 117.188 -1.387 . . . . 0.0 114.499 170.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 p -74.47 -37.86 63.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 121.288 1.858 . . . . 0.0 110.674 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.98 -27.33 68.78 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.623 1.169 . . . . 0.0 112.798 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.7 p -93.18 -37.83 11.89 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.49 -21.64 62.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.386 1.448 . . . . 0.0 112.285 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.96 70.84 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.824 1.65 . . . . 0.0 110.98 150.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 42.05 79.27 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 129.217 3.007 . . . . 0.0 116.399 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.23 -171.17 1.88 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.79 2.036 . . . . 0.0 109.939 157.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.62 -13.55 0.25 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.451 1.101 . . . . 0.0 113.667 162.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.62 -114.43 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 130.832 3.653 . . . . 0.0 110.173 152.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.286 0.3 OUTLIER -82.43 1.23 38.43 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.557 -1.964 . . . . 0.0 115.893 -171.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.5 -11.05 46.47 Favored Glycine 0 CA--C 1.536 1.371 0 O-C-N 121.105 -0.997 . . . . 0.0 113.341 154.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.3 tp -129.73 -55.25 1.14 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.995 1.318 . . . . 0.0 111.699 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' B' ' 13' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.395 0 C-N-CA 126.0 1.72 . . . . 0.0 111.942 174.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.26 173.27 8.87 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.747 1.619 . . . . 0.0 110.36 173.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.09 -39.2 86.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.652 2.024 . . . . 0.0 111.89 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tp -48.51 -61.42 2.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.776 1.274 . . . . 0.0 110.646 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.96 -35.01 76.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.713 1.605 . . . . 0.0 112.546 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.95 -36.04 49.67 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.957 -1.089 . . . . 0.0 112.903 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.19 96.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.262 0.937 . . . . 0.0 109.544 168.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.0 mtm -60.48 -37.91 82.56 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 167.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.5 -9.31 3.31 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 117.515 -1.714 . . . . 0.0 115.64 163.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.0 mtt -95.86 -43.78 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.279 2.039 . . . . 0.0 112.002 167.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -42.24 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.256 1.844 . . . . 0.0 112.685 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -52.77 -25.7 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.132 0.878 . . . . 0.0 110.677 163.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.415 ' CG ' ' HZ2' ' A' ' 95' ' ' LYS . 12.7 m-20 -89.53 -11.28 43.29 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 116.285 1.958 . . . . 0.0 116.285 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -40.86 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 108.94 155.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.59 -26.93 67.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 166.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -75.27 -6.33 49.25 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.65 -59.19 2.88 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 121.664 2.029 . . . . 0.0 110.124 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.444 ' C ' ' H ' ' B' ' 20' ' ' GLY . 9.4 m-85 -91.59 -69.61 0.73 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.112 1.765 . . . . 0.0 110.385 -165.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -63.35 30.53 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.238 2.615 . . . . 0.0 113.534 162.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' B' ' 18' ' ' TYR . . . -72.76 29.69 0.74 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 128.601 3.001 . . . . 0.0 116.825 -158.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -165.12 -19.06 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.794 1.237 . . . . 0.0 113.587 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -152.17 176.17 11.83 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 120.648 1.567 . . . . 0.0 115.039 -161.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.04 112.89 1.63 Allowed Glycine 0 CA--C 1.532 1.136 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 158.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -169.6 -139.88 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.116 0.484 . . . . 0.0 111.95 -128.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -82.02 -16.23 50.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.627 1.571 . . . . 0.0 112.634 145.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -140.09 88.86 2.25 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 128.147 2.579 . . . . 0.0 111.065 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p 33.2 126.0 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 3 C-N-CA 138.175 6.59 . . . . 0.0 119.223 3.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.21 82.36 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.334 1.053 . . . . 0.0 111.157 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -61.63 154.69 24.41 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 122.053 0.93 . . . . 0.0 109.304 147.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -59.59 -23.76 63.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.401 1.88 . . . . 0.0 114.54 -172.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.8 -36.24 19.71 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.175 0.893 . . . . 0.0 113.568 173.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.55 -49.48 53.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.75 1.22 . . . . 0.0 110.418 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -43.79 -40.05 4.15 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 126.665 1.986 . . . . 0.0 112.912 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -64.39 -57.07 10.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.763 2.425 . . . . 0.0 112.649 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.63 -19.35 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.896 1.679 . . . . 0.0 112.682 -174.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.95 -41.61 42.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.773 2.429 . . . . 0.0 112.68 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt -71.69 -30.86 66.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.54 0.736 . . . . 0.0 112.462 -167.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -53.52 -35.66 60.92 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.762 1.625 . . . . 0.0 112.006 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -97.67 -50.39 4.49 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 126.706 2.002 . . . . 0.0 110.324 -167.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -116.76 -5.02 11.58 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -166.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.02 28.29 0.16 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -46.39 132.33 15.61 Favored 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 122.849 2.366 . . . . 0.0 116.303 -174.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.23 -20.41 16.42 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.968 2.223 . . . . 0.0 114.275 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.497 ' CE2' ' HE2' ' B' ' 87' ' ' LYS . 30.9 m-85 -69.1 -14.72 63.17 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.945 1.872 . . . . 0.0 111.93 156.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -0.47 4.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.426 3.09 . . . . 0.0 113.264 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -50.4 -27.5 6.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.899 0.88 . . . . 0.0 112.443 153.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -102.32 -66.2 0.94 Allowed 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 126.227 1.811 . . . . 0.0 109.935 165.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.18 14.61 26.37 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.393 0.996 . . . . 0.0 113.894 -167.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -95.1 -93.2 0.19 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-O 117.376 -1.297 . . . . 0.0 113.587 -142.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.3 t0 134.31 -36.78 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.671 3.188 . . . . 0.0 110.338 -153.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -101.43 -10.78 19.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.26 -84.69 0.4 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 116.912 -1.518 . . . . 0.0 109.933 167.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.08 -168.85 2.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.662 1.574 . . . . 0.0 111.205 165.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.78 -53.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.908 1.683 . . . . 0.0 110.086 -144.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.46 -35.19 67.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.155 1.382 . . . . 0.0 113.53 166.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -87.4 -3.82 59.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.35 1.432 . . . . 0.0 114.473 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.13 -4.7 58.21 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.552 -0.717 . . . . 0.0 110.565 159.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.33 -75.14 0.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.906 1.682 . . . . 0.0 109.453 165.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -41.51 4.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 130.384 3.474 . . . . 0.0 114.974 -166.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.84 -48.93 79.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.146 1.778 . . . . 0.0 111.864 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -45.78 11.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.773 1.629 . . . . 0.0 112.281 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -30.35 -34.63 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 131.961 4.104 . . . . 0.0 115.058 168.048 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.26 -23.55 9.17 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.505 1.522 . . . . 0.0 115.076 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.75 0.05 57.35 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 126.581 1.952 . . . . 0.0 111.153 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -142.26 -89.06 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.912 1.244 . . . . 0.0 112.772 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.22 -39.86 0.07 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.029 1.332 . . . . 0.0 112.717 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 166.31 -32.39 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 130.994 3.718 . . . . 0.0 110.608 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -85.83 95.54 9.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.09 -1.006 . . . . 0.0 109.55 170.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 t -63.51 111.32 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 126.947 2.099 . . . . 0.0 112.144 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.12 167.23 16.53 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.675 2.39 . . . . 0.0 113.127 163.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -59.41 -33.51 71.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.636 1.174 . . . . 0.0 112.51 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -64.73 -56.78 11.54 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.239 1.015 . . . . 0.0 110.948 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.07 -54.06 17.66 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.043 1.737 . . . . 0.0 110.78 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -50.05 -66.09 0.45 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.849 1.659 . . . . 0.0 110.781 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.2 tp -64.09 -36.28 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.641 1.11 . . . . 0.0 112.591 -166.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.72 -52.05 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.511 1.124 . . . . 0.0 110.605 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -80.99 -20.53 41.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -56.53 -47.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 124.637 1.175 . . . . 0.0 108.667 163.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -1.31 1.82 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 168.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.78 -40.26 9.44 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.997 1.271 . . . . 0.0 111.673 158.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mm -54.22 -35.97 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.898 2.079 . . . . 0.0 111.634 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.42 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.9 t -53.66 -49.06 68.76 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.057 0.844 . . . . 0.0 112.833 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 42.8 p -61.25 -32.42 72.23 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.404 -0.81 . . . . 0.0 112.217 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.1 51.96 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.094 1.358 . . . . 0.0 114.076 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -59.88 -22.25 62.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.487 1.494 . . . . 0.0 114.161 -168.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -62.47 -38.24 89.06 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.63 1.572 . . . . 0.0 113.948 169.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' B' ' 44' ' ' PHE . 24.1 mmtp 54.39 -45.62 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 130.942 3.697 . . . . 0.0 115.023 -169.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -140.51 -4.11 1.28 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.71 2.004 . . . . 0.0 114.272 171.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 25.3 t80 69.94 -53.8 0.62 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.187 1.795 . . . . 0.0 114.256 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.56 -18.48 52.85 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.773 1.229 . . . . 0.0 111.904 165.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 -18.88 21.12 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 168.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 9.3 m -170.22 92.6 0.21 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.191 1.796 . . . . 0.0 109.527 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.01 -68.55 0.31 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 124.175 0.893 . . . . 0.0 111.44 -168.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 56.4 tp -79.53 -38.63 33.8 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 117.121 0.46 . . . . 0.0 110.666 163.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.407 ' HZ1' ' C ' ' B' ' 95' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.338 0 CA-C-O 116.053 -1.927 . . . . 0.0 109.05 164.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 p -70.66 178.74 2.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.389 1.876 . . . . 0.0 111.249 162.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.69 -47.48 70.44 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.662 -1.274 . . . . 0.0 112.338 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -60.66 3.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.568 1.547 . . . . 0.0 110.426 172.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.07 -30.05 70.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 116.988 -1.482 . . . . 0.0 112.873 -172.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.96 -24.74 28.19 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.54 2.336 . . . . 0.0 112.832 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.75 96.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.752 1.16 . . . . 0.0 109.821 158.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.411 ' SD ' HG11 ' B' ' 78' ' ' VAL . 28.9 mtt -70.44 -20.87 62.87 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 167.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.78 88.13 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.817 1.675 . . . . 0.0 111.452 168.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.45 -21.92 59.36 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.093 1.446 . . . . 0.0 113.291 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.4 -54.22 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.836 -1.165 . . . . 0.0 110.847 160.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.24 -21.65 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.032 0.933 . . . . 0.0 110.824 171.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -79.86 -33.06 40.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.36 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -67.45 -29.68 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 122.165 2.257 . . . . 0.0 110.643 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.87 -51.71 63.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 111.834 160.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -70.15 2.84 3.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.06 1.344 . . . . 0.0 114.248 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -54.75 5.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.434 2.293 . . . . 0.0 110.138 159.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -91.18 -48.51 6.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.237 1.415 . . . . 0.0 113.359 -168.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.19 93.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.685 158.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.36 68.09 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 118.784 -1.009 . . . . 0.0 114.207 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m 120.96 -21.74 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 1 C-N-CA 132.626 4.37 . . . . 0.0 110.884 -171.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 147.38 35.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.955 2.102 . . . . 0.0 113.429 -169.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.61 81.86 0.32 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 127.412 2.434 . . . . 0.0 108.557 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 t -160.55 -78.94 0.05 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 122.535 1.16 . . . . 0.0 111.641 -143.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 p -139.47 -51.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 130.339 3.456 . . . . 0.0 106.161 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 27' ' ' THR . 40.3 mt-30 -103.67 89.73 3.43 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.604 2.362 . . . . 0.0 108.461 160.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 19.3 p 30.25 136.4 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 3 C-N-CA 140.125 7.37 . . . . 0.0 117.524 15.049 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 72.99 3.72 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.345 1.069 . . . . 0.0 108.887 170.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -52.33 148.57 6.49 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.619 149.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -32.07 -41.21 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 129.371 3.069 . . . . 0.0 115.76 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.21 -25.66 25.81 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -74.2 -43.94 55.23 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.878 1.339 . . . . 0.0 109.452 170.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.56 -44.52 46.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.082 2.153 . . . . 0.0 113.343 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -37.73 76.6 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.11 -47.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.963 0.801 . . . . 0.0 109.939 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.2 -29.69 9.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.125 1.77 . . . . 0.0 112.881 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -85.56 -16.3 39.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.145 -1.597 . . . . 0.0 112.738 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -32.4 73.94 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.756 1.162 . . . . 0.0 110.847 162.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -86.67 -59.23 2.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.674 2.39 . . . . 0.0 110.944 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.56 -40.89 14.77 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.189 1.395 . . . . 0.0 114.48 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.79 47.77 2.46 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.159 1.384 . . . . 0.0 113.225 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -41.47 -37.53 3.45 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.765 2.976 . . . . 0.0 117.813 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 -14.89 81.91 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 120.039 1.291 . . . . 0.0 115.351 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.88 -17.07 62.14 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.798 -1.413 . . . . 0.0 111.39 168.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 0.32 13.6 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.437 HE21 ' CD ' ' A' ' 90' ' ' GLU . 83.8 mm-40 -56.37 -26.46 52.97 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.475 0.579 . . . . 0.0 112.317 156.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -85.21 -72.49 0.48 Allowed 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.043 0.537 . . . . 0.0 109.996 156.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 3.16 3.26 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.917 1.246 . . . . 0.0 115.202 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LYS . 23.4 ttpp -132.45 98.34 4.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 126.902 2.081 . . . . 0.0 109.586 -156.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.72 13.35 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 1 C-N-CA 132.343 4.257 . . . . 0.0 117.485 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LYS . 1.9 mptp? -106.26 -13.73 15.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.935 2.094 . . . . 0.0 112.257 170.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -121.7 -94.61 0.5 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.791 1.237 . . . . 0.0 110.807 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.06 -164.26 0.72 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.177 1.353 . . . . 0.0 110.325 160.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.4 t 62.56 -54.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 126.2 1.8 . . . . 0.0 110.239 -158.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -51.72 -33.63 35.39 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.729 2.012 . . . . 0.0 113.478 160.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -89.68 -4.15 57.89 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.99 -2.91 56.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 164.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.266 3.3 tt -96.19 -81.07 0.42 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.941 2.896 . . . . 0.0 106.594 165.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -41.88 -55.59 3.03 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.784 1.634 . . . . 0.0 114.621 -166.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -42.85 43.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.605 1.962 . . . . 0.0 113.097 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -40.29 11.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.988 1.315 . . . . 0.0 112.5 176.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -7.3 1.58 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.341 1.456 . . . . 0.0 113.85 175.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.88 -23.59 2.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.386 1.074 . . . . 0.0 113.754 160.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.96 -17.65 49.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.645 1.178 . . . . 0.0 113.676 170.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.06 -96.22 0.66 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.539 2.018 . . . . 0.0 112.969 -169.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -157.64 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.768 1.227 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.39 31.03 1.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.997 2.519 . . . . 0.0 110.535 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -141.71 99.23 3.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.24 2.216 . . . . 0.0 109.511 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.1 t -66.56 118.0 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.165 1.386 . . . . 0.0 112.762 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.86 166.81 22.84 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.443 1.897 . . . . 0.0 113.056 164.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.82 -34.07 73.98 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.617 1.167 . . . . 0.0 113.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 p -63.35 -57.42 10.42 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.754 1.222 . . . . 0.0 110.594 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -49.15 -51.45 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 130.502 3.521 . . . . 0.0 110.397 174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -50.0 -67.5 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.802 1.241 . . . . 0.0 111.796 166.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.29 -38.28 73.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 120.239 1.381 . . . . 0.0 112.73 -169.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.66 -55.77 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.762 1.225 . . . . 0.0 110.628 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -76.42 -27.26 56.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.57 -45.29 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.556 167.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.94 -2.85 16.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.63 13.54 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.441 1.019 . . . . 0.0 111.91 157.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.9 mm -55.98 -42.4 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.004 1.322 . . . . 0.0 111.434 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.404 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 11.8 t -57.15 -10.87 1.35 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 171.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 m -106.52 -49.43 3.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.147 1.379 . . . . 0.0 109.324 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.04 -49.87 62.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.268 1.427 . . . . 0.0 112.715 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.3 m -74.91 -6.6 50.08 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.998 2.119 . . . . 0.0 115.26 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 88' ' ' TYR . 1.9 t-80 -115.2 1.95 13.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -157.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -70.05 11.45 0.3 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.626 1.17 . . . . 0.0 113.356 167.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 86' ' ' HIS 0.395 13.4 m-85 141.63 0.4 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 1 C-N-CA 134.179 4.992 . . . . 0.0 115.977 157.382 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.5 t80 67.15 143.73 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.475 2.31 . . . . 0.0 115.029 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' CD ' HE21 ' A' ' 46' ' ' GLN . 6.3 tp10 53.74 -74.81 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.156 1.783 . . . . 0.0 111.625 -160.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -26.37 -52.25 0.05 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 129.077 2.951 . . . . 0.0 110.319 154.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.9 m -134.04 63.96 1.61 Allowed 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 124.515 1.126 . . . . 0.0 110.232 165.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.08 64.38 4.25 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 117.822 -1.543 . . . . 0.0 109.913 161.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 tp 119.19 -54.49 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 131.433 3.893 . . . . 0.0 110.522 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 128.784 2.834 . . . . 0.0 113.006 -164.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.7 p -142.79 -86.8 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 112.765 -156.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.39 -66.55 0.24 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.744 3.618 . . . . 0.0 104.693 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.8 -56.46 19.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.396 2.279 . . . . 0.0 112.15 161.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -75.34 -24.39 57.34 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.295 -0.878 . . . . 0.0 111.657 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.23 65.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.953 -0.546 . . . . 0.0 111.545 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.08 92.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.835 0.854 . . . . 0.0 111.212 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.404 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 54.8 mtm -60.48 -36.62 78.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.527 1.058 . . . . 0.0 112.875 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.23 -0.93 0.22 Allowed Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.903 1.716 . . . . 0.0 116.337 162.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.9 mtp -106.48 -41.15 5.36 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.206 2.003 . . . . 0.0 111.901 168.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.8 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.974 1.261 . . . . 0.0 112.336 174.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.33 -27.29 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.633 0.773 . . . . 0.0 110.834 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.483 ' CG ' HH12 ' B' ' 17' ' ' ARG . 13.4 t70 -103.26 6.74 38.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.815 1.646 . . . . 0.0 114.271 -169.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 -28.18 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 120.552 -1.342 . . . . 0.0 110.231 152.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' B' ' 17' ' ' ARG . 53.2 t80 -70.74 -41.43 71.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.246 1.418 . . . . 0.0 113.435 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.4 t -62.58 14.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.991 2.116 . . . . 0.0 114.806 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.483 HH12 ' CG ' ' B' ' 13' ' ' ASP . 0.0 OUTLIER -93.77 -60.9 1.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.7 2.4 . . . . 0.0 108.507 165.013 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -75.93 -76.63 0.15 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.11 2.164 . . . . 0.0 111.314 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 29.1 t -75.85 7.26 4.09 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.359 0.663 . . . . 0.0 112.637 167.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -22.93 3.9 Favored Glycine 0 CA--C 1.541 1.694 0 O-C-N 120.865 -1.147 . . . . 0.0 113.645 144.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -73.78 4.39 5.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.732 2.013 . . . . 0.0 113.862 168.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' B' ' 23' ' ' GLY 0.34 6.8 tm-20 100.24 -148.34 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 131.068 3.747 . . . . 0.0 111.933 164.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.442 ' H ' ' CD ' ' B' ' 22' ' ' GLU . . . -117.74 69.55 0.31 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 128.099 2.761 . . . . 0.0 109.676 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -142.92 -31.77 0.49 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -117.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t 125.85 -41.58 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 130.5 3.52 . . . . 0.0 106.953 -150.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' B' ' 27' ' ' THR . 39.3 mt-30 -130.68 83.9 2.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.995 2.518 . . . . 0.0 107.673 169.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' B' ' 26' ' ' GLN . 16.6 p 28.93 132.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 3 C-N-CA 138.837 6.855 . . . . 0.0 118.119 21.111 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.46 73.71 0.23 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.667 1.222 . . . . 0.0 111.313 168.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -56.7 148.62 19.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.431 1.492 . . . . 0.0 108.627 146.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -50.62 -29.86 11.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.149 2.179 . . . . 0.0 113.999 -174.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.16 -26.82 32.69 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.256 1.408 . . . . 0.0 115.256 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -75.31 -46.64 32.16 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.996 1.398 . . . . 0.0 109.407 167.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 tt -49.42 -50.45 40.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.792 2.037 . . . . 0.0 112.166 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -57.45 -50.59 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.75 -22.16 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.3 -37.13 66.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.85 2.06 . . . . 0.0 111.717 171.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 8.1 mmt -72.15 -19.29 61.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.067 0.947 . . . . 0.0 112.545 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -61.18 -23.96 65.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 112.745 164.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -109.01 -54.6 2.51 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.991 1.716 . . . . 0.0 109.598 -167.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -83.24 -31.26 27.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.05 30.32 0.19 Allowed Pre-proline 0 CA--C 1.565 1.526 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -171.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -49.43 120.95 6.33 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 123.08 2.136 . . . . 0.0 112.766 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.7 -33.96 4.57 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.652 1.596 . . . . 0.0 113.042 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -70.85 -20.53 62.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.009 1.905 . . . . 0.0 112.113 163.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 1.41 1.73 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.026 1.73 . . . . 0.0 114.62 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -26.13 27.09 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.702 -0.624 . . . . 0.0 111.206 156.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -75.36 -70.63 0.41 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.832 1.653 . . . . 0.0 111.888 160.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.92 2.17 44.42 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.404 2.906 . . . . 0.0 114.876 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.414 ' HZ1' ' HB3' ' B' ' 49' ' ' LYS . 5.7 ttpm? -161.49 111.96 1.67 Allowed 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 124.77 1.228 . . . . 0.0 108.686 -148.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.3 45.11 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.902 3.281 . . . . 0.0 115.009 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.58 -12.63 2.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.73 2.412 . . . . 0.0 113.593 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -123.34 -79.67 0.62 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.742 1.156 . . . . 0.0 110.646 166.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.7 -156.12 0.54 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.058 0.943 . . . . 0.0 110.122 160.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t 59.9 -57.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.851 1.66 . . . . 0.0 109.778 -148.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -47.58 -32.13 5.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.496 2.319 . . . . 0.0 113.881 161.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -96.14 -9.89 29.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.44 -0.32 41.09 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.535 -0.728 . . . . 0.0 110.508 159.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tt -103.45 -71.26 0.73 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.157 2.583 . . . . 0.0 108.587 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -28.3 8.85 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.239 2.216 . . . . 0.0 116.167 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.04 -49.08 63.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.244 1.018 . . . . 0.0 111.906 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.88 -38.85 16.36 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.687 1.595 . . . . 0.0 112.774 -173.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -25.45 -33.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.838 1 C-N-CA 132.246 4.218 . . . . 0.0 116.178 166.142 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.51 31.64 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.162 1.785 . . . . 0.0 115.329 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -22.14 30.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.485 1.114 . . . . 0.0 112.158 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.56 -67.2 0.05 OUTLIER Glycine 0 CA--C 1.527 0.796 0 CA-C-N 120.067 1.303 . . . . 0.0 114.037 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -157.67 -62.0 0.09 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.659 0.784 . . . . 0.0 112.752 -170.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.02 -54.22 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 130.005 3.322 . . . . 0.0 107.836 -157.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.19 97.47 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.729 -0.607 . . . . 0.0 109.659 158.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.48 124.56 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.778 1.631 . . . . 0.0 113.559 -168.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 169.42 17.88 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.05 1.74 . . . . 0.0 113.797 164.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -61.26 -29.74 70.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 113.182 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -65.46 -56.35 12.93 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.5 1.92 . . . . 0.0 110.118 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.04 -50.28 67.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.144 0.978 . . . . 0.0 110.563 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' B' ' 15' ' ' PHE . 35.3 t80 -51.18 -65.91 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.866 1.266 . . . . 0.0 111.921 173.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.9 -38.73 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.325 0.966 . . . . 0.0 111.928 -169.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.41 -39.0 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.116 1.366 . . . . 0.0 112.2 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -95.19 -19.61 19.92 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.411 HG11 ' SD ' ' A' ' 8' ' ' MET . 59.5 t -55.01 -34.69 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 119.555 1.071 . . . . 0.0 110.669 165.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.56 65.43 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 169.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.3 -51.13 5.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.556 1.071 . . . . 0.0 109.923 165.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -46.13 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 128.943 2.897 . . . . 0.0 112.665 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -50.29 -28.3 7.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.702 1.601 . . . . 0.0 113.96 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -99.03 -46.04 5.73 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.536 0.735 . . . . 0.0 111.705 166.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.14 76.15 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -165.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 89.5 p -57.33 -35.18 69.58 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 120.65 1.568 . . . . 0.0 113.754 -173.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.53 ' C ' ' H ' ' B' ' 88' ' ' TYR . 51.5 m80 -53.47 -36.2 61.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.757 2.023 . . . . 0.0 112.333 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 mttp 54.99 -19.81 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 130.302 3.441 . . . . 0.0 116.285 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.53 ' H ' ' C ' ' B' ' 86' ' ' HIS . 0.3 OUTLIER -177.27 -2.44 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.112 1 C-N-CA 133.317 4.647 . . . . 0.0 112.733 164.299 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER 72.96 -44.26 0.59 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.47 2.708 . . . . 0.0 113.513 177.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.22 -9.35 31.29 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 158.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -82.7 -36.53 25.8 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.42 1.488 . . . . 0.0 114.625 169.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.24 -31.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.5 -21.23 77.55 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.269 1.414 . . . . 0.0 115.593 -173.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.19 -21.98 4.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.916 1.358 . . . . 0.0 114.193 173.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 128.721 2.809 . . . . 0.0 108.372 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 46.7 ttp . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.438 ' H ' ' HB2' ' A' ' 5' ' ' GLU . 43.2 p -151.55 -172.27 4.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.295 2.638 . . . . 0.0 108.944 -165.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -56.15 -48.92 75.35 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 121.239 1.836 . . . . 0.0 111.309 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.51 -53.48 55.79 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 128.027 2.531 . . . . 0.0 112.208 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 2' ' ' THR . 59.1 mt-10 -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.28 74.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 120.433 1.47 . . . . 0.0 110.993 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.67 84.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.101 0.41 . . . . 0.0 110.804 167.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.22 -32.56 73.24 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.46 -29.19 16.64 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.163 -1.354 . . . . 0.0 112.927 165.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtt -83.96 -31.01 25.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.691 1.746 . . . . 0.0 113.405 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -39.67 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 120.648 1.567 . . . . 0.0 111.186 168.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.9 mm -57.04 -31.94 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.332 164.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.87 -49.78 66.87 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.858 -1.544 . . . . 0.0 111.884 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.09 -30.05 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.554 2.434 . . . . 0.0 112.8 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.81 -49.79 49.24 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.637 -1.29 . . . . 0.0 112.599 164.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -18.25 64.21 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.929 1.692 . . . . 0.0 113.142 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -57.27 3.99 Favored 'General case' 0 CA--C 1.531 0.213 1 C-N-CA 131.994 4.118 . . . . 0.0 108.717 169.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.56 -50.4 12.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.6 p -62.98 -14.72 51.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.181 0.992 . . . . 0.0 112.68 166.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.43 0.67 8.39 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.938 1.732 . . . . 0.0 115.147 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m 129.9 -16.77 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.259 1 C-N-CA 132.326 4.25 . . . . 0.0 112.629 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -89.79 162.22 15.63 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -155.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.94 48.08 0.99 Allowed Glycine 0 CA--C 1.538 1.483 0 C-N-CA 127.98 2.705 . . . . 0.0 110.956 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.7 m -119.9 -37.0 3.17 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -158.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t 140.46 -20.74 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 130.169 3.388 . . . . 0.0 110.653 -150.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -107.99 139.21 42.96 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 139.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.8 p 88.87 138.87 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 123.163 2.711 . . . . 0.0 115.889 -80.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.23 68.5 0.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.293 1.037 . . . . 0.0 110.861 167.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -56.12 154.7 7.4 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.552 -0.718 . . . . 0.0 109.133 151.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -36.34 -38.22 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 129.345 3.058 . . . . 0.0 114.0 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.56 -34.49 8.49 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.092 1.329 . . . . 0.0 116.003 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.2 -47.48 61.32 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.772 1.786 . . . . 0.0 109.719 173.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -44.9 -52.33 8.76 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.369 1.468 . . . . 0.0 109.699 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -55.08 -54.34 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.438 1.895 . . . . 0.0 113.48 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.8 -10.37 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.32 -28.09 38.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.414 1.485 . . . . 0.0 111.619 165.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -23.54 19.68 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -159.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -20.31 62.87 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 121.669 2.031 . . . . 0.0 111.023 168.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -92.49 -59.07 2.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.699 2.0 . . . . 0.0 110.334 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.93 -4.06 17.06 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -165.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.35 36.77 0.29 Allowed Pre-proline 0 CA--C 1.564 1.5 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 170.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -48.66 133.35 26.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 122.401 1.893 . . . . 0.0 112.998 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.26 -25.67 24.22 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.479 1.514 . . . . 0.0 113.806 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.69 -15.9 60.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.809 1.805 . . . . 0.0 112.356 160.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.81 17.97 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.992 1.717 . . . . 0.0 114.256 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.0 -28.49 66.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 158.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 49' ' ' LYS . 10.3 m -82.24 -73.58 0.39 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.406 0.682 . . . . 0.0 110.476 156.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.09 -19.17 0.06 OUTLIER Glycine 0 CA--C 1.544 1.893 0 C-N-CA 127.302 2.382 . . . . 0.0 116.242 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 47' ' ' SER . 6.8 ttpm? -105.89 106.12 16.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 131.496 3.918 . . . . 0.0 109.042 -173.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -56.71 20.53 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.017 3.727 . . . . 0.0 115.632 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 49' ' ' LYS . 10.6 mptt -111.92 -11.02 13.94 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.036 2.134 . . . . 0.0 111.673 171.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.64 -103.23 0.41 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.456 161.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.79 -160.88 0.21 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.824 1.647 . . . . 0.0 111.459 166.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t 62.4 -60.21 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 126.296 1.838 . . . . 0.0 109.185 -154.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.45 -39.43 64.43 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.161 1.785 . . . . 0.0 112.862 160.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -90.88 9.65 29.51 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 170.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.77 -65.34 1.0 Allowed 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 146.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -35.9 -64.93 0.28 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.22 1.408 . . . . 0.0 111.861 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -20.53 6.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.156 2.182 . . . . 0.0 115.895 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -42.46 15.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.904 0.775 . . . . 0.0 111.522 176.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -34.07 23.08 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.265 1.026 . . . . 0.0 112.584 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -31.39 -41.91 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 131.404 3.882 . . . . 0.0 113.818 162.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.99 -26.8 11.47 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.672 1.589 . . . . 0.0 114.617 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.21 4.36 50.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.89 -70.34 0.01 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 116.07 1.188 . . . . 0.0 116.07 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -159.85 -68.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.0 1.32 . . . . 0.0 111.439 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 160.5 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 130.446 3.498 . . . . 0.0 108.609 -164.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.11 78.41 0.95 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.023 0.916 . . . . 0.0 110.112 163.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.75 121.12 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 129.105 2.962 . . . . 0.0 113.014 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' B' ' 91' ' ' LYS 0.254 0.0 OUTLIER -89.81 172.05 9.18 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.122 1.369 . . . . 0.0 113.791 170.27 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -44.65 43.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.849 1.66 . . . . 0.0 113.731 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.5 p -69.01 -12.79 62.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.076 2.15 . . . . 0.0 114.025 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -106.25 -46.6 4.01 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.147 1.779 . . . . 0.0 107.235 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.32 -62.36 1.53 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.434 1.894 . . . . 0.0 111.497 159.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.14 -40.29 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -163.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.4 t -57.06 -46.8 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.321 1.448 . . . . 0.0 110.7 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -84.13 -21.55 31.37 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.03 -46.5 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.613 1.097 . . . . 0.0 108.82 165.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -5.37 12.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.45 -45.3 9.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.997 1.272 . . . . 0.0 110.762 160.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -40.42 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 129.133 2.973 . . . . 0.0 112.288 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -47.86 -39.18 17.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -87.02 -43.15 12.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.381 1.072 . . . . 0.0 111.368 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.89 -16.9 39.61 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -164.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.9 m -64.78 -62.67 1.43 Allowed 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.245 1.839 . . . . 0.0 108.073 162.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.522 ' C ' ' H ' ' A' ' 88' ' ' TYR . 39.6 m80 -56.56 -45.59 81.18 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 128.57 2.748 . . . . 0.0 113.172 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.1 mttp 61.92 -22.42 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 129.395 3.078 . . . . 0.0 114.643 -174.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -177.79 -7.86 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.162 1 C-N-CA 133.463 4.705 . . . . 0.0 113.004 151.47 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.426 4.8 p90 44.33 3.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 130.695 3.598 . . . . 0.0 120.222 -176.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.99 12.11 2.96 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.486 1.114 . . . . 0.0 112.183 135.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -131.21 -84.79 0.51 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.567 2.347 . . . . 0.0 110.943 -165.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.51 83.04 3.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 155.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 95' ' ' LYS . . . -69.65 68.88 0.57 Allowed Glycine 0 C--N 1.339 0.745 0 C-N-CA 125.792 1.663 . . . . 0.0 112.91 -168.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.4 tp 59.53 -7.15 0.06 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.732 2.413 . . . . 0.0 114.039 -163.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 128.794 2.837 . . . . 0.0 113.988 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.413 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.6 p -76.62 -170.55 1.58 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.795 3.238 . . . . 0.0 111.892 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -72.91 -44.11 61.61 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.817 3.008 . . . . 0.0 110.909 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.78 -52.03 34.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.55 1.54 . . . . 0.0 110.985 168.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.413 ' HB2' ' H ' ' B' ' 2' ' ' THR . 93.5 mt-10 -79.02 -19.88 50.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.886 -1.054 . . . . 0.0 113.816 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 -40.73 54.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 121.209 1.822 . . . . 0.0 110.987 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.82 77.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.215 0.462 . . . . 0.0 110.621 167.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtm -68.56 -33.85 74.81 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.04 -40.66 10.15 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 118.205 -1.331 . . . . 0.0 111.027 160.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 57.8 mtp -71.3 -25.61 62.51 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 115.745 -2.074 . . . . 0.0 114.969 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.313 0.0 OUTLIER -89.17 -29.5 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 122.954 2.616 . . . . 0.0 113.52 171.023 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.2 -38.2 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 118.68 0.673 . . . . 0.0 109.648 159.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.441 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 17.8 t70 -84.7 -15.66 44.48 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -32.61 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.237 -1.539 . . . . 0.0 110.128 161.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -73.45 -38.95 65.31 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 113.07 170.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 12.2 t -43.97 -35.83 2.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 129.488 3.115 . . . . 0.0 114.847 174.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -50.07 -27.3 5.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.674 2.79 . . . . 0.0 113.33 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -130.91 -53.05 1.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.007 1.723 . . . . 0.0 112.01 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -143.32 -0.7 1.09 Allowed 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.34 -12.93 41.17 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 119.063 -2.273 . . . . 0.0 111.759 160.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 40.3 m -92.51 -14.98 27.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.226 2.611 . . . . 0.0 114.49 169.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -155.1 146.61 23.09 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.763 1.62 . . . . 0.0 115.113 -158.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.02 57.13 0.56 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.905 1.717 . . . . 0.0 112.44 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -138.62 -31.22 0.74 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -150.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 9.1 t 138.41 -23.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 130.587 3.555 . . . . 0.0 110.335 -154.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -108.48 129.84 55.27 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 103.095 -2.928 . . . . 0.0 103.095 139.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.6 p 66.11 126.69 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 3 C-N-CA 133.435 4.694 . . . . 0.0 117.757 -53.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.14 66.08 0.4 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.719 1.247 . . . . 0.0 110.582 167.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -50.39 145.26 6.54 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.315 145.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -41.01 -42.11 1.83 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.859 2.464 . . . . 0.0 114.391 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -24.9 65.12 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.579 1.085 . . . . 0.0 115.223 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -79.71 -52.83 7.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.699 1.25 . . . . 0.0 109.288 167.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 tt -43.0 -54.7 4.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.807 2.443 . . . . 0.0 112.15 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -39.49 55.59 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -177.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.14 -18.89 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.55 1.14 . . . . 0.0 111.452 -173.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.73 -43.37 15.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.206 1.802 . . . . 0.0 111.712 169.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 12.1 mmt -71.24 -34.41 70.75 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.552 1.141 . . . . 0.0 112.82 -168.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.72 -18.0 4.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.332 1.453 . . . . 0.0 112.807 170.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -115.55 -47.05 2.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.22 2.208 . . . . 0.0 110.255 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -102.13 -14.07 17.22 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.42 34.77 0.27 Allowed Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -36.21 111.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.835 3.024 . . . . 0.0 114.071 161.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.75 -42.02 1.53 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.25 1.405 . . . . 0.0 112.956 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -66.89 -21.92 65.98 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 123.073 1.416 . . . . 0.0 111.401 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -1.63 9.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.113 2.565 . . . . 0.0 113.359 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -52.05 -35.35 47.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.049 0.94 . . . . 0.0 112.107 162.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.1 m -108.09 -47.15 3.61 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 124.896 1.279 . . . . 0.0 110.997 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.6 23.47 49.68 Favored Glycine 0 CA--C 1.538 1.509 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.924 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -124.72 162.26 24.6 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -154.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.7 -8.21 4.37 Favored 'General case' 0 CA--C 1.544 0.718 1 C-N-CA 132.115 4.166 . . . . 0.0 115.375 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 -33.9 5.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.554 1.142 . . . . 0.0 112.92 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -149.22 -0.63 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -153.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.51 -67.55 0.3 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.852 1.66 . . . . 0.0 114.097 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.4 t -58.18 -37.78 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.572 0.749 . . . . 0.0 109.559 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.53 -26.15 68.41 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -91.42 -39.56 11.92 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.977 1.262 . . . . 0.0 111.695 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.75 -8.48 3.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.003 164.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 tt -92.59 -80.15 0.38 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.073 2.149 . . . . 0.0 107.89 158.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -41.29 14.72 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.232 1.813 . . . . 0.0 115.861 -166.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -37.18 86.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.065 0.848 . . . . 0.0 111.849 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -43.99 7.82 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.614 1.566 . . . . 0.0 111.897 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -4.83 0.89 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.632 1.573 . . . . 0.0 113.283 174.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.86 -25.76 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.354 158.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.77 -16.38 55.67 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.716 1.206 . . . . 0.0 113.626 170.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -96.49 0.69 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.26 1.886 . . . . 0.0 112.22 -172.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -159.28 -79.21 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.372 1.069 . . . . 0.0 111.377 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.47 24.35 1.25 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.438 1.895 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -138.83 76.87 1.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.957 1.703 . . . . 0.0 111.867 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -42.34 124.18 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 127.631 2.372 . . . . 0.0 114.466 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.72 167.82 11.22 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 127.922 2.489 . . . . 0.0 113.267 168.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -60.15 -38.52 83.4 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.626 -1.296 . . . . 0.0 113.317 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -75.96 1.74 14.48 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.978 0.808 . . . . 0.0 112.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -112.22 -51.75 2.82 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 127.461 2.304 . . . . 0.0 107.297 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.27 -60.53 2.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.819 1.248 . . . . 0.0 111.655 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.0 -39.95 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 120.127 1.33 . . . . 0.0 113.391 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.06 -52.35 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.639 1.176 . . . . 0.0 109.911 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.83 -18.41 47.53 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.36 -51.49 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 120.266 1.394 . . . . 0.0 108.797 161.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -16.86 63.88 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 -19.58 44.27 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.875 -1.141 . . . . 0.0 113.221 164.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.75 -46.47 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.613 1.565 . . . . 0.0 110.876 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -54.96 -43.58 73.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.209 163.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 17.3 m -64.67 -13.54 54.56 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.9 -41.45 13.19 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.328 1.451 . . . . 0.0 111.257 171.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -56.78 -41.58 77.92 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.858 0.754 . . . . 0.0 111.209 164.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -58.2 -59.1 5.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.771 1.228 . . . . 0.0 110.539 167.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.06 -51.14 0.41 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.814 2.445 . . . . 0.0 111.262 -148.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.413 ' CZ ' ' HE2' ' B' ' 91' ' ' LYS . 0.1 OUTLIER -147.99 -31.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.632 1.173 . . . . 0.0 112.673 159.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 37.6 t80 114.66 94.12 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.224 1 C-N-CA 131.775 4.03 . . . . 0.0 112.634 162.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 63.48 -65.01 0.11 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.7 2.0 . . . . 0.0 111.931 -171.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' A' ' 70' ' ' ASP . 69.1 tttt -16.42 -58.92 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 129.42 3.088 . . . . 0.0 112.185 149.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.16 100.22 3.76 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.902 1.281 . . . . 0.0 108.133 150.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.94 -6.94 87.89 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-O 119.472 -0.626 . . . . 0.0 113.439 167.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 pp 140.21 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 1 C-N-CA 134.388 5.075 . . . . 0.0 109.522 -166.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.414 ' HZ3' ' C ' ' B' ' 95' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.888 0 C-N-CA 127.706 2.402 . . . . 0.0 111.366 158.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.477 0.18 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 p -148.0 -175.6 4.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 131.228 3.811 . . . . 0.0 106.531 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.49 -52.8 63.35 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.662 2.028 . . . . 0.0 112.221 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.48 -36.81 81.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.85 -28.44 58.2 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.652 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.73 82.31 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.502 1.046 . . . . 0.0 110.235 169.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.1 78.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.445 0.698 . . . . 0.0 112.862 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm -62.5 -33.62 75.23 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.931 1.241 . . . . 0.0 112.912 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.44 -40.02 3.51 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.451 161.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mtt -76.58 -18.25 58.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.984 1.892 . . . . 0.0 114.926 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -24.89 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 120.618 1.554 . . . . 0.0 113.285 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.48 -28.28 39.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 147.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -73.72 -42.2 61.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.145 -1.883 . . . . 0.0 113.051 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 3.0 m -60.39 -35.17 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 122.542 2.428 . . . . 0.0 111.965 172.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -58.86 -46.71 87.12 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.398 0.544 . . . . 0.0 111.4 165.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 m -62.92 -24.41 67.84 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 114.011 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -70.31 -46.48 64.14 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.755 1.616 . . . . 0.0 110.045 168.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -104.37 -24.26 13.1 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -159.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.9 m -75.84 -8.53 57.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.647 1.112 . . . . 0.0 111.667 149.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.89 7.51 36.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.939 1.257 . . . . 0.0 113.99 -166.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m 119.59 -64.69 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 133.728 4.811 . . . . 0.0 107.237 -167.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.37 178.31 2.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.73 2.812 . . . . 0.0 109.262 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.98 -29.59 4.34 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.57 1.081 . . . . 0.0 113.365 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -54.04 -24.59 17.66 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.479 2.312 . . . . 0.0 112.563 159.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m 147.37 -103.73 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 1 C-N-CA 137.364 6.266 . . . . 0.0 101.153 -170.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -126.35 41.51 3.51 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.382 1.073 . . . . 0.0 109.909 156.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -129.22 171.65 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -153.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.9 110.35 22.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.89 3.276 . . . . 0.0 108.407 158.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -74.81 162.06 29.01 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.595 1.089 . . . . 0.0 111.364 160.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -53.06 -33.95 54.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.279 1.832 . . . . 0.0 113.399 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.33 -11.27 72.53 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.799 1.19 . . . . 0.0 115.006 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -100.04 -43.19 6.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 128.187 2.595 . . . . 0.0 109.452 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.29 -25.63 1.64 Allowed 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 128.793 2.837 . . . . 0.0 114.756 165.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -76.23 -43.26 42.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.701 2.046 . . . . 0.0 115.548 -164.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.48 -10.65 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 122.358 1.075 . . . . 0.0 111.966 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.02 -30.08 62.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.78 2.432 . . . . 0.0 111.77 163.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 39' ' ' LYS . 13.5 mmt -74.89 -47.46 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.423 -1.423 . . . . 0.0 111.397 -170.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.85 -5.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 129.151 2.981 . . . . 0.0 115.057 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 37' ' ' MET . 4.1 tptp -141.84 -53.45 0.44 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 129.163 2.985 . . . . 0.0 108.26 -148.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' CD ' ' HZ1' ' A' ' 39' ' ' LYS . 2.0 mm-40 -103.73 -21.73 13.66 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.353 0.0 OUTLIER -147.28 69.75 11.67 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 121.256 1.844 . . . . 0.0 114.818 164.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.77 -5.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.965 5.11 . . . . 0.0 119.714 169.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.99 2.78 87.19 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.807 1.67 . . . . 0.0 115.199 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -118.78 6.79 11.51 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.248 1.419 . . . . 0.0 112.303 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.78 -14.74 24.41 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.437 1.895 . . . . 0.0 112.686 -168.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -63.56 -24.31 67.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.347 2.259 . . . . 0.0 110.424 170.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -91.46 -70.22 0.7 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.423 1.489 . . . . 0.0 109.732 153.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.96 -9.48 6.54 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.91 1.924 . . . . 0.0 117.91 168.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HE3' ' N ' ' A' ' 49' ' ' LYS 0.297 0.0 OUTLIER -155.54 -67.74 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.677 2.239 . . . . 0.0 114.254 169.135 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 29.04 6.58 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 135.891 5.676 . . . . 0.0 120.387 176.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 65.97 3.5 2.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.811 2.445 . . . . 0.0 112.517 -153.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.37 -169.08 2.01 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 128.263 2.625 . . . . 0.0 111.188 -171.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 48.15 -66.27 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 130.116 3.366 . . . . 0.0 117.47 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.93 -40.81 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.006 1.722 . . . . 0.0 109.578 154.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.48 -27.94 69.32 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -92.87 -30.66 15.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.439 1.472 . . . . 0.0 112.124 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.87 1.6 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.519 1.528 . . . . 0.0 113.348 156.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -112.75 -68.83 0.9 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.839 2.456 . . . . 0.0 109.047 164.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -29.12 10.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.739 2.416 . . . . 0.0 115.803 -173.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.09 -37.32 66.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.431 1.014 . . . . 0.0 111.825 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -41.15 11.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.762 1.625 . . . . 0.0 112.195 -176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -28.17 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 132.805 4.442 . . . . 0.0 116.127 168.133 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.68 -22.68 24.39 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.531 1.532 . . . . 0.0 115.014 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -7.88 56.84 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.293 1.837 . . . . 0.0 111.659 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.16 -77.12 0.02 OUTLIER Glycine 0 C--N 1.343 0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 114.43 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -146.53 -62.68 0.3 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 147.3 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 129.805 3.242 . . . . 0.0 107.714 -156.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.12 101.31 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 152.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.44 108.3 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 126.666 1.986 . . . . 0.0 110.757 -161.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 161.73 10.07 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.367 1.867 . . . . 0.0 112.609 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' B' ' 91' ' ' LYS . 14.5 p90 -56.97 -33.93 67.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.851 . . . . 0.0 112.322 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -65.86 -52.84 46.92 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.516 1.127 . . . . 0.0 110.515 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.99 -50.8 60.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.008 1.323 . . . . 0.0 110.039 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.61 -64.59 0.85 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.771 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.89 -35.59 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.922 1.237 . . . . 0.0 113.292 -172.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.39 -54.19 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.824 0.849 . . . . 0.0 110.222 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -78.07 -16.02 58.4 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.4 -51.54 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 120.61 1.55 . . . . 0.0 109.203 165.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.35 69.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.753 0.706 . . . . 0.0 112.865 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.12 -27.7 68.25 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.342 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.45 -47.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 121.329 1.877 . . . . 0.0 112.026 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -59.09 -37.73 77.81 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.846 1.203 . . . . 0.0 110.671 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -47.11 84.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.226 0.61 . . . . 0.0 110.977 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.39 -40.32 77.94 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.43 1.092 . . . . 0.0 112.236 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -60.41 -11.66 7.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.675 1.59 . . . . 0.0 114.662 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -16.43 61.75 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.852 1.205 . . . . 0.0 112.366 168.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 0.8 OUTLIER 40.18 1.55 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 2 C-N-CA 132.901 4.48 . . . . 0.0 121.946 172.798 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.36 -20.93 64.91 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.885 1.675 . . . . 0.0 114.649 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -152.62 -120.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.764 0.826 . . . . 0.0 109.251 155.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -44.59 61.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.108 0.867 . . . . 0.0 110.371 165.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 -68.81 0.47 Allowed 'General case' 0 CA--C 1.536 0.433 1 C-N-CA 133.873 4.869 . . . . 0.0 107.099 175.464 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.66 96.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 130.681 3.592 . . . . 0.0 105.084 175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.84 -12.43 83.03 Favored Glycine 0 CA--C 1.534 1.229 0 O-C-N 121.68 -0.638 . . . . 0.0 113.224 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.07 -24.99 21.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.696 1.598 . . . . 0.0 113.462 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.36 1.864 . . . . 0.0 108.891 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 16.0 p -152.27 -171.05 3.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.376 3.471 . . . . 0.0 107.039 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -65.44 -50.58 64.89 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 123.883 3.038 . . . . 0.0 110.114 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.32 -48.25 68.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.703 2.001 . . . . 0.0 112.672 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -78.79 -22.32 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.701 -1.143 . . . . 0.0 113.747 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.78 67.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 121.447 1.93 . . . . 0.0 110.411 169.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.19 78.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.536 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 76.1 mtm -68.52 -23.28 64.52 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.48 -44.81 22.45 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.477 -1.179 . . . . 0.0 110.573 159.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 30.8 mtt -69.44 -36.52 76.72 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.778 1.289 . . . . 0.0 113.68 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.43 0.0 OUTLIER -77.83 -9.6 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 171.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -87.24 -21.44 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.988 0 C-N-CA 125.128 1.371 . . . . 0.0 110.997 157.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.444 ' CG ' HH12 ' B' ' 17' ' ' ARG . 17.3 t0 -78.07 -34.23 50.39 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.147 -1.596 . . . . 0.0 112.644 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.01 -36.84 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 119.233 0.924 . . . . 0.0 112.142 164.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -73.83 -39.12 64.26 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.48 -0.763 . . . . 0.0 109.997 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -71.42 3.46 3.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.248 2.219 . . . . 0.0 113.348 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.444 HH12 ' CG ' ' B' ' 13' ' ' ASP . 0.0 OUTLIER -73.18 -71.85 0.28 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.844 1.202 . . . . 0.0 108.271 157.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -40.29 17.05 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -165.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 p -73.71 -1.29 18.48 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.479 165.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 4.48 0.01 OUTLIER Glycine 0 N--CA 1.476 1.312 1 C-N-CA 131.789 4.518 . . . . 0.0 120.575 -161.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -149.97 -61.47 0.21 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 148.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -139.24 165.42 27.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.943 0.897 . . . . 0.0 108.952 139.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.25 21.14 3.14 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 126.177 1.846 . . . . 0.0 112.094 167.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.34 -163.71 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.876 1 C-N-CA 132.207 4.203 . . . . 0.0 104.584 -141.171 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -90.25 81.87 6.05 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.399 -1.438 . . . . 0.0 108.398 146.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.27 4.4 pt20 20.92 63.16 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 130.364 3.466 . . . . 0.0 115.978 -167.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -125.98 -176.33 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 127.884 2.473 . . . . 0.0 108.315 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.97 98.9 8.41 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.315 1.446 . . . . 0.0 108.455 158.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -69.47 148.72 49.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 109.74 162.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -48.16 -35.51 11.8 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.215 1.806 . . . . 0.0 113.418 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.43 65.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.424 -1.209 . . . . 0.0 115.117 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.46 -44.57 11.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.267 1.534 . . . . 0.0 109.706 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -43.93 -49.63 8.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.846 2.859 . . . . 0.0 112.062 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -51.48 -41.45 60.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.66 -30.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 118.672 0.669 . . . . 0.0 111.238 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.1 -40.28 82.64 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.386 1.875 . . . . 0.0 111.616 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.95 -25.36 67.84 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.148 0.979 . . . . 0.0 112.968 -172.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -25.17 64.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.471 1.108 . . . . 0.0 112.782 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -107.22 -43.35 4.62 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 126.061 1.744 . . . . 0.0 111.086 -165.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -120.37 -9.12 9.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.392 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.6 31.08 0.15 Allowed Pre-proline 0 CA--C 1.565 1.53 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 168.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -39.14 117.86 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 123.548 2.832 . . . . 0.0 114.033 165.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -41.56 1.81 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.975 1.274 . . . . 0.0 112.799 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -69.45 -20.49 63.76 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.325 1.562 . . . . 0.0 111.632 170.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -7.44 15.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.117 2.567 . . . . 0.0 113.52 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.8 -29.08 66.57 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.298 1.408 . . . . 0.0 111.782 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -100.26 -64.37 1.05 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.688 0.795 . . . . 0.0 109.516 159.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 -8.14 3.63 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 117.519 -1.712 . . . . 0.0 116.283 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.645 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.283 0.0 OUTLIER -160.7 -100.39 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.331 2.065 . . . . 0.0 112.27 167.459 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.645 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 1.9 m-20 52.25 19.74 1.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.652 3.181 . . . . 0.0 114.838 170.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.04 -7.17 0.22 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.343 2.657 . . . . 0.0 114.583 -167.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -131.64 6.78 4.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.444 1.498 . . . . 0.0 114.719 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.4 174.1 10.77 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.057 -1.027 . . . . 0.0 109.428 147.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t 61.41 -57.15 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.278 1.831 . . . . 0.0 110.934 -161.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.73 -37.03 17.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.677 2.391 . . . . 0.0 113.697 164.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -95.88 -5.19 42.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.41 1.084 . . . . 0.0 113.736 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.18 2.92 55.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.224 1.009 . . . . 0.0 110.247 161.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.83 -78.65 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.262 2.625 . . . . 0.0 108.861 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -50.55 10.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.71 2.004 . . . . 0.0 114.502 -170.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -11.34 3.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.724 2.41 . . . . 0.0 114.409 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.04 -35.71 2.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.393 1.877 . . . . 0.0 112.782 174.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -6.29 0.75 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.575 1.55 . . . . 0.0 113.35 167.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.96 -23.3 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.782 -1.199 . . . . 0.0 113.782 158.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.96 -3.85 56.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 125.592 1.557 . . . . 0.0 112.854 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.21 -102.87 0.77 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 127.098 2.285 . . . . 0.0 112.336 -174.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.79 -83.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.27 1.828 . . . . 0.0 110.765 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.44 25.95 2.0 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.623 2.369 . . . . 0.0 111.422 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -139.0 91.74 2.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.882 2.073 . . . . 0.0 109.925 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.97 125.12 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.433 1.893 . . . . 0.0 112.289 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.262 0.4 OUTLIER -87.04 169.4 12.45 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 120.294 1.406 . . . . 0.0 113.906 166.642 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -38.48 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.107 1.363 . . . . 0.0 113.571 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 95.4 p -66.21 -54.14 28.72 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 110.101 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.1 -49.43 63.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.198 2.599 . . . . 0.0 110.517 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -53.79 -61.15 2.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.05 171.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -37.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 119.631 1.105 . . . . 0.0 112.93 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -48.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 119.863 1.211 . . . . 0.0 111.318 174.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -74.53 -24.77 59.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.68 -46.64 83.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.997 0.817 . . . . 0.0 109.377 167.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -10.78 38.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.12 24.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.807 1.185 . . . . 0.0 111.884 162.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.27 -44.28 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 119.986 1.266 . . . . 0.0 111.651 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 12.7 t -65.27 -6.04 8.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.4 p -98.73 -29.45 13.0 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.53 1.132 . . . . 0.0 111.784 167.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.0 92.16 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.986 -1.071 . . . . 0.0 111.207 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 87.8 p -76.58 9.59 2.65 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -49.86 -25.3 3.03 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -49.41 -17.24 0.26 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.922 2.089 . . . . 0.0 114.571 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -60.49 -13.22 12.52 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 168.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -154.49 -117.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.863 1.665 . . . . 0.0 109.312 146.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -76.13 -35.45 59.26 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.541 1.064 . . . . 0.0 110.159 153.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -124.49 -29.84 3.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 -169.404 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 13.5 p 122.76 60.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 1 C-N-CA 131.872 4.069 . . . . 0.0 109.164 -159.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.24 -7.52 14.35 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.527 1.061 . . . . 0.0 115.599 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.27 -19.42 63.11 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.892 1.346 . . . . 0.0 112.183 164.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.97 0 C-N-CA 126.73 2.012 . . . . 0.0 110.789 172.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 p -151.24 -177.71 6.21 Favored 'General case' 0 N--CA 1.474 0.739 1 C-N-CA 132.54 4.336 . . . . 0.0 106.966 -172.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -52.34 -44.55 65.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.627 1.558 . . . . 0.0 113.285 175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -102.34 -21.95 14.21 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.05 -34.11 77.28 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.847 -1.158 . . . . 0.0 111.014 158.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.48 -23.05 37.64 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.792 1.178 . . . . 0.0 112.816 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.57 79.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 120.313 1.415 . . . . 0.0 109.603 158.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 mtm -59.89 -36.25 76.57 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 166.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.53 -28.76 5.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 117.624 -1.653 . . . . 0.0 114.052 162.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -82.72 -29.27 29.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.815 2.308 . . . . 0.0 113.755 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -28.3 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.589 -1.319 . . . . 0.0 112.794 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.86 -38.58 80.91 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.291 153.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 28.8 t70 -56.52 -51.48 68.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 121.512 1.96 . . . . 0.0 111.522 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -45.33 -33.21 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.293 0.952 . . . . 0.0 112.358 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -86.73 -27.93 23.36 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.432 1.893 . . . . 0.0 114.866 173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.79 -27.87 65.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.056 2.542 . . . . 0.0 113.052 160.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 HH22 ' CD ' ' B' ' 3' ' ' GLU . 6.7 mtm180 -82.91 -61.81 1.77 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 112.649 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -81.82 -61.98 1.77 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.295 0.638 . . . . 0.0 112.399 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -3.02 3.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.236 1.814 . . . . 0.0 114.247 166.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 4.05 56.22 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.542 1.068 . . . . 0.0 114.848 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m 113.73 -68.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 1 C-N-CA 132.64 4.376 . . . . 0.0 107.345 -173.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -156.99 72.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 126.473 1.909 . . . . 0.0 108.195 167.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.78 -15.76 58.25 Favored Glycine 0 CA--C 1.536 1.366 0 CA-C-O 117.413 -1.771 . . . . 0.0 112.364 159.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.485 0.6 OUTLIER -3.13 13.77 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 2 C-N-CA 138.739 6.816 . . . . 0.0 121.813 -156.711 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 p -60.03 -58.56 8.03 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.079 2.152 . . . . 0.0 109.234 126.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -80.33 68.18 6.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 124.312 2.006 . . . . 0.0 109.836 162.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 10.6 p -73.01 161.65 30.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 112.36 -2.2 . . . . 0.0 109.308 142.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.66 71.21 0.98 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.097 0.951 . . . . 0.0 110.2 162.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -50.23 148.03 3.81 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 146.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 55' ' ' ASP . 72.9 tttt -38.94 -36.53 0.29 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.652 2.381 . . . . 0.0 113.84 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.74 -28.22 51.71 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.758 1.17 . . . . 0.0 115.228 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.2 -42.43 13.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.356 1.462 . . . . 0.0 110.276 172.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -45.28 -40.81 7.98 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 126.84 2.056 . . . . 0.0 112.098 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -69.39 -40.4 77.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.1 -11.3 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -170.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.275 13.9 tp -74.46 -29.72 61.58 Favored 'General case' 0 CA--C 1.544 0.728 1 C-N-CA 131.811 4.044 . . . . 0.0 112.185 164.764 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -20.52 17.52 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 119.589 -1.944 . . . . 0.0 113.362 -158.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CD ' ' HZ2' ' A' ' 39' ' ' LYS . 2.8 mt-10 -62.04 -30.78 71.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.44 1.018 . . . . 0.0 110.848 163.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HZ2' ' CD ' ' A' ' 38' ' ' GLU . 35.7 mmtm -95.93 -55.06 3.11 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 127.834 2.454 . . . . 0.0 110.522 -164.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.9 -12.44 11.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.587 1.555 . . . . 0.0 111.789 -165.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.57 38.32 0.41 Allowed Pre-proline 0 CA--C 1.562 1.422 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -52.63 138.21 58.58 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 122.175 1.813 . . . . 0.0 112.914 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.09 -31.73 7.38 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.694 1.14 . . . . 0.0 113.996 -172.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.65 -18.51 64.03 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.606 1.703 . . . . 0.0 110.23 165.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.24 0.49 16.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.079 2.552 . . . . 0.0 114.49 172.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.93 -17.85 62.36 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.712 0.805 . . . . 0.0 112.499 163.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -103.86 -57.97 1.95 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.766 1.226 . . . . 0.0 110.323 153.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.47 15.38 52.54 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.396 0.0 OUTLIER 89.78 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 129.959 3.303 . . . . 0.0 112.682 -174.1 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.38 -21.68 11.71 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.512 1.925 . . . . 0.0 112.2 168.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? 139.12 -25.82 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.2 5.0 . . . . 0.0 110.888 -165.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.28 -91.34 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.348 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.39 -175.26 5.62 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.902 1.683 . . . . 0.0 113.897 -167.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.4 t 61.39 -58.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 127.69 2.396 . . . . 0.0 110.085 -158.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' HE3' ' A' ' 30' ' ' LYS . 13.0 t70 -48.63 -54.67 13.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.251 1.42 . . . . 0.0 110.898 156.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.8 3.52 11.7 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.43 -71.01 0.47 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 152.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -36.71 -60.67 0.59 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.415 1.486 . . . . 0.0 112.554 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HZ1' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -53.31 -24.66 12.34 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.524 2.33 . . . . 0.0 115.526 -175.293 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.37 10.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.818 1.247 . . . . 0.0 110.204 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -37.4 59.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.562 1.145 . . . . 0.0 112.68 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' CG ' ' HZ1' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -25.95 -38.2 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 132.885 4.474 . . . . 0.0 115.466 164.618 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.09 52.26 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -10.78 54.44 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.465 1.106 . . . . 0.0 111.739 -177.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.17 -69.57 0.01 OUTLIER Glycine 0 C--N 1.341 0.839 0 CA-C-N 120.402 1.455 . . . . 0.0 114.377 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -152.6 -63.42 0.16 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -172.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.25 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 130.343 3.457 . . . . 0.0 107.451 -159.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.27 89.42 0.13 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.992 0.901 . . . . 0.0 109.724 156.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.95 122.54 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.032 3.333 . . . . 0.0 113.31 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.49 -179.65 5.63 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 127.623 2.369 . . . . 0.0 113.644 166.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -67.48 -35.23 78.77 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.329 -1.482 . . . . 0.0 112.645 -166.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -60.1 -55.65 31.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.069 0.947 . . . . 0.0 109.996 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.07 -51.77 49.95 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.119 1.368 . . . . 0.0 109.721 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.65 -67.76 0.3 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.343 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -57.46 -36.83 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 120.231 1.378 . . . . 0.0 113.172 -168.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.5 t -59.59 -48.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 0.0 110.721 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -80.25 -20.56 44.23 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.61 -45.27 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.43 1.014 . . . . 0.0 108.57 168.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.11 -17.25 24.73 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 168.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.33 18.12 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.279 -1.513 . . . . 0.0 111.701 166.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -45.4 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 127.161 2.185 . . . . 0.0 111.039 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -54.18 -42.37 69.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.806 1.185 . . . . 0.0 112.401 171.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 m -69.95 -31.04 68.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.505 0.722 . . . . 0.0 111.433 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.82 58.65 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.668 1.587 . . . . 0.0 114.32 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.0 p -49.32 -22.67 1.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.409 2.284 . . . . 0.0 115.376 -176.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -56.15 -0.04 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.423 2.289 . . . . 0.0 115.851 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -51.36 -24.08 4.39 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.492 1.117 . . . . 0.0 113.286 164.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -89.41 -36.49 15.43 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.352 38.0 p90 38.3 -2.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.869 1 N-CA-C 121.918 4.044 . . . . 0.0 121.918 173.656 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -28.69 57.94 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.957 1.703 . . . . 0.0 112.512 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.71 10.06 4.68 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.424 2.69 . . . . 0.0 112.414 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 94' ' ' LEU . 35.4 p 64.63 17.12 10.74 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.256 2.222 . . . . 0.0 113.69 -157.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.4 -39.59 0.47 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.533 1.539 . . . . 0.0 113.576 -168.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 92' ' ' THR . 63.3 tp 136.72 77.79 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.354 1 C-N-CA 136.803 6.041 . . . . 0.0 107.113 165.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.858 0 C-N-CA 125.87 1.668 . . . . 0.0 110.376 173.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.433 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -154.17 -171.83 4.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 131.544 3.938 . . . . 0.0 107.33 -163.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.405 ' CD ' HH22 ' A' ' 17' ' ' ARG . 42.7 tt0 -60.69 -53.92 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.361 2.346 . . . . 0.0 112.012 169.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -55.78 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.513 1.925 . . . . 0.0 111.079 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 68.2 mt-10 -72.26 -30.92 65.32 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.586 -175.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.46 62.75 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.934 1.697 . . . . 0.0 111.964 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.11 81.73 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 109.992 163.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 44.9 mtm -58.61 -35.56 72.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 169.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.16 -32.2 2.42 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.151 -1.361 . . . . 0.0 113.181 164.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 20.6 mtt -85.87 -20.56 28.9 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.575 1.688 . . . . 0.0 114.728 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -28.66 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.209 1.368 . . . . 0.0 112.035 173.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.32 -38.17 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.358 146.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.45 -29.15 67.72 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 121.354 1.888 . . . . 0.0 114.776 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.95 -23.17 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 122.672 2.487 . . . . 0.0 110.92 165.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 9.5 t80 -97.78 -9.81 25.92 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 170.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -8.06 29.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.095 1.758 . . . . 0.0 112.445 170.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -55.9 -81.0 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.372 3.069 . . . . 0.0 110.366 154.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.39 -59.56 1.86 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.328 0.585 . . . . 0.0 111.971 -162.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 m -78.71 20.3 0.46 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.781 164.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.74 -18.93 6.07 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 119.099 0.863 . . . . 0.0 112.341 151.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.8 m -40.53 -44.8 2.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.89 2.476 . . . . 0.0 114.44 155.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 29.32 37.06 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 131.086 3.754 . . . . 0.0 115.953 -167.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 25' ' ' THR . . . -79.38 8.88 44.46 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 117.102 -1.944 . . . . 0.0 114.336 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . 0.507 0.0 OUTLIER -32.42 42.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 120.262 3.43 . . . . 0.0 120.262 -110.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.52 ' H ' ' C ' ' B' ' 23' ' ' GLY . 64.1 m -69.38 -36.92 77.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 131.094 3.758 . . . . 0.0 109.358 146.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -124.89 88.95 2.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 129.141 2.976 . . . . 0.0 104.558 162.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.0 p 15.81 142.07 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 2 C-N-CA 136.101 5.76 . . . . 0.0 118.954 51.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.68 81.01 0.07 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 153.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -60.46 151.54 28.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.074 147.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -47.57 -36.83 11.19 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.793 2.037 . . . . 0.0 113.493 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -21.29 63.78 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.606 1.098 . . . . 0.0 114.847 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -80.45 -49.46 11.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.044 1.337 . . . . 0.0 109.907 171.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 tt -43.74 -60.91 1.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.948 2.099 . . . . 0.0 113.42 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -41.45 -52.2 3.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -164.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.38 -12.41 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.194 2.198 . . . . 0.0 114.12 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.06 -33.07 33.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.54 1.936 . . . . 0.0 111.174 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mmt -81.88 -27.26 33.56 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.322 0.649 . . . . 0.0 111.599 -166.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.59 -28.19 44.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.863 1.665 . . . . 0.0 112.528 164.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -102.23 -59.24 1.74 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 126.127 1.771 . . . . 0.0 109.801 -166.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -99.17 -18.54 17.61 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -164.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.335 0.0 OUTLIER -140.98 56.12 6.23 Favored Pre-proline 0 CA--C 1.563 1.444 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 164.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -44.72 -13.12 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 126.851 5.034 . . . . 0.0 120.433 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.59 -25.08 68.55 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 121.247 1.84 . . . . 0.0 113.706 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -74.4 -7.89 54.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.256 1.028 . . . . 0.0 113.662 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -5.0 59.28 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.084 1.354 . . . . 0.0 113.13 -172.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.42 -30.77 61.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.164 1.386 . . . . 0.0 111.216 156.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -60.76 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.832 2.053 . . . . 0.0 110.482 166.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.49 8.23 2.55 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 163.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 123.15 120.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 1 C-N-CA 133.775 4.83 . . . . 0.0 111.104 174.368 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' B' ' 52' ' ' ASP . 36.7 t70 -144.29 24.02 1.62 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 0.0 111.663 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER 58.95 -30.08 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 O-C-N 119.345 -2.097 . . . . 0.0 115.39 -159.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' B' ' 50' ' ' ASP . 14.9 m-20 -112.17 -5.46 14.22 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 131.159 3.783 . . . . 0.0 112.953 173.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.8 165.71 14.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.194 0.998 . . . . 0.0 109.097 160.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 59.2 -50.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.157 0.983 . . . . 0.0 110.463 -141.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.31 -33.56 42.94 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 127.502 2.321 . . . . 0.0 115.641 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -92.02 -5.47 52.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 121.224 1.829 . . . . 0.0 112.387 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.87 6.77 46.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.845 1.258 . . . . 0.0 109.552 159.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.25 -72.95 0.7 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.08 2.552 . . . . 0.0 108.791 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -41.85 -33.28 0.5 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 130.236 3.414 . . . . 0.0 115.425 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -20.89 59.96 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.009 1.724 . . . . 0.0 114.697 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.13 -28.88 4.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.183 2.593 . . . . 0.0 112.397 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.97 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.54 1 C-N-CA 132.683 4.393 . . . . 0.0 114.683 156.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.88 -33.28 0.19 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.07 1.748 . . . . 0.0 113.654 157.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.44 -25.12 61.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.868 2.067 . . . . 0.0 116.035 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.15 34.57 0.08 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.76 1.864 . . . . 0.0 117.76 -165.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 50.55 0.67 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 130.941 3.696 . . . . 0.0 118.573 169.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 175.98 -11.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 129.509 3.124 . . . . 0.0 112.12 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -112.52 104.85 12.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.449 1.1 . . . . 0.0 109.366 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -88.03 119.75 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 129.115 2.966 . . . . 0.0 111.604 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.68 171.93 13.49 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.265 1.426 . . . . 0.0 114.124 162.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -54.18 -57.84 9.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.632 2.373 . . . . 0.0 114.092 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -61.0 -24.38 66.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.424 1.889 . . . . 0.0 112.754 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.29 -50.87 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 128.588 2.755 . . . . 0.0 108.956 -169.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -45.5 -55.35 6.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.179 156.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.266 0.4 OUTLIER -58.43 -36.9 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -47.86 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.812 1.642 . . . . 0.0 110.156 169.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.69 -27.65 58.35 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.49 -48.24 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.125 -0.985 . . . . 0.0 108.556 170.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.09 -5.59 2.35 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 168.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.71 -43.5 9.55 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.677 1.126 . . . . 0.0 111.866 160.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.5 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 128.373 2.669 . . . . 0.0 111.791 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -50.54 -61.62 2.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.678 0.672 . . . . 0.0 111.452 168.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 27.7 p -58.67 -29.19 66.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.437 1.495 . . . . 0.0 113.636 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -64.92 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.131 1.372 . . . . 0.0 110.361 173.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -53.83 -42.25 68.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.759 1.623 . . . . 0.0 111.995 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -53.1 -12.25 0.34 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.132 2.173 . . . . 0.0 116.663 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.01 -53.02 0.57 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.141 1.776 . . . . 0.0 113.595 -164.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -141.04 57.95 1.54 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.811 1.244 . . . . 0.0 109.668 161.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -150.37 113.36 4.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.957 0.903 . . . . 0.0 111.981 -160.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 66.41 -55.96 0.39 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.922 2.089 . . . . 0.0 111.466 -173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.8 -58.93 0.5 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 129.837 3.255 . . . . 0.0 111.748 157.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -165.14 73.64 0.21 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.424 1.889 . . . . 0.0 108.568 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.6 85.11 0.04 OUTLIER Glycine 0 N--CA 1.476 1.342 0 C-N-CA 125.776 1.655 . . . . 0.0 113.93 -170.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.03 8.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.36 2.664 . . . . 0.0 116.046 -160.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 114.594 -2.622 . . . . 0.0 112.647 -168.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -159.42 -167.71 2.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.526 3.13 . . . . 0.0 107.341 -164.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.25 -55.94 28.46 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 122.265 2.302 . . . . 0.0 111.374 165.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.32 -47.36 81.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.926 2.091 . . . . 0.0 112.464 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -86.19 -21.78 27.3 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.115 -172.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.45 69.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.362 1.437 . . . . 0.0 109.638 162.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -55.59 23.74 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.568 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.319 1.2 ttt -69.59 -23.53 63.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.901 1.682 . . . . 0.0 114.226 174.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.83 -47.81 7.66 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 117.732 -1.594 . . . . 0.0 112.877 156.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 44.9 mtt -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.357 2.078 . . . . 0.0 113.809 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -26.82 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.598 1.09 . . . . 0.0 112.494 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.76 -24.52 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 118.067 0.394 . . . . 0.0 111.006 158.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.99 -43.12 30.54 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 120.398 -1.439 . . . . 0.0 113.287 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -59.9 -27.72 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.937 1.699 . . . . 0.0 111.988 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.24 -50.31 48.31 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.279 0.632 . . . . 0.0 110.597 165.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' N ' ' A' ' 21' ' ' SER . 15.4 m -56.96 -23.11 43.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.176 1.79 . . . . 0.0 115.109 174.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -65.07 0.73 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.848 1.659 . . . . 0.0 110.774 161.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -88.78 -46.45 8.97 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 -163.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 -4.41 58.09 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.941 1.246 . . . . 0.0 112.814 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.44 32.0 67.67 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 120.802 -1.186 . . . . 0.0 112.254 -165.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.4 ' N ' ' HA ' ' A' ' 16' ' ' SER . 7.5 m 79.53 -70.68 0.09 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 129.561 3.144 . . . . 0.0 107.882 -174.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -144.89 60.66 1.32 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.177 0.991 . . . . 0.0 110.198 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.27 -4.35 59.78 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.769 -1.017 . . . . 0.0 113.301 167.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.437 3.3 m -0.67 5.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.881 2 C-N-CA 140.54 7.536 . . . . 0.0 122.822 -165.431 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 p -54.99 -56.08 23.71 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.846 1.258 . . . . 0.0 111.944 128.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -100.26 82.98 2.59 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 128.895 2.878 . . . . 0.0 106.483 163.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.4 p -6.85 138.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 2 C-N-CA 136.17 5.788 . . . . 0.0 121.027 69.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.45 78.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.046 1.739 . . . . 0.0 109.513 157.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 152.99 12.52 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 148.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -43.43 -33.68 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.582 2.353 . . . . 0.0 113.027 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -21.28 56.72 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.938 1.256 . . . . 0.0 115.405 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -87.29 -48.6 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.243 1.521 . . . . 0.0 109.749 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tt -41.59 -45.13 3.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 128.284 2.634 . . . . 0.0 113.159 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -60.76 -34.3 74.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t -74.88 -36.46 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.768 0.827 . . . . 0.0 110.706 -172.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.27 -47.72 78.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.796 2.038 . . . . 0.0 111.611 164.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mmm -67.63 -27.51 66.94 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -166.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -62.03 -25.38 67.63 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.949 1.25 . . . . 0.0 112.262 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -105.61 -50.79 3.13 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 126.233 1.813 . . . . 0.0 109.729 -167.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.89 -12.19 14.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 113.344 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.99 29.76 0.18 Allowed Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.533 1.533 . . . . 0.0 114.623 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.48 136.17 74.3 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 122.26 1.843 . . . . 0.0 111.746 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.98 -36.39 4.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.473 -1.182 . . . . 0.0 112.579 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -62.94 -24.44 67.87 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.113 1.957 . . . . 0.0 110.738 162.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.44 -0.07 9.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.495 1.518 . . . . 0.0 114.86 173.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.53 -16.12 54.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.315 0.962 . . . . 0.0 112.129 158.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -102.79 -59.7 1.66 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.046 1.338 . . . . 0.0 110.609 159.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.431 ' C ' ' HE3' ' A' ' 49' ' ' LYS . . . 75.76 -14.13 6.14 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 117.291 -1.838 . . . . 0.0 116.334 175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE3' ' C ' ' A' ' 48' ' ' GLY 0.348 0.0 OUTLIER 146.46 97.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 1 C-N-CA 132.49 4.316 . . . . 0.0 112.164 171.878 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 52' ' ' ASP . 62.9 m-20 -115.12 23.94 12.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.385 1.074 . . . . 0.0 111.346 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.272 3.0 tmtt? 59.91 -12.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.179 1.792 . . . . 0.0 114.258 -163.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 50' ' ' ASP . 74.9 m-20 -114.76 14.52 17.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.3 1.84 . . . . 0.0 113.388 169.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.67 172.48 13.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.973 1.309 . . . . 0.0 109.579 152.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t 58.51 -55.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.507 -157.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -50.85 -47.32 60.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.259 1.823 . . . . 0.0 112.11 164.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -77.56 -30.91 52.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -3.35 3.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.959 1.704 . . . . 0.0 111.351 169.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -111.53 -55.67 2.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.092 2.957 . . . . 0.0 110.387 167.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -58.24 -27.68 64.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 116.846 -1.549 . . . . 0.0 114.642 -172.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -75.52 -11.65 60.07 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.346 1.029 . . . . 0.0 113.026 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.81 -31.4 1.17 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.935 1.294 . . . . 0.0 114.207 -171.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -19.08 -43.61 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 129.382 3.073 . . . . 0.0 114.685 151.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -22.5 8.29 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -18.73 32.75 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.346 1.458 . . . . 0.0 111.641 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.24 -73.53 0.03 OUTLIER Glycine 0 CA--C 1.527 0.838 0 CA-C-N 120.164 1.347 . . . . 0.0 114.373 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -151.11 -61.04 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -169.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.05 -54.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 130.584 3.554 . . . . 0.0 107.362 -154.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -62.79 93.28 0.05 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.82 157.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.8 124.35 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.267 2.227 . . . . 0.0 113.21 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.14 179.42 5.07 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 128.418 2.687 . . . . 0.0 112.975 167.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -72.25 -32.23 66.49 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.349 -1.469 . . . . 0.0 113.302 -162.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 t -56.93 -55.43 34.66 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.648 0.779 . . . . 0.0 109.927 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.61 -50.34 70.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 109.893 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.72 -56.46 19.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.736 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.8 tp -62.93 -33.56 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.063 1.301 . . . . 0.0 112.804 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.24 -51.46 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.124 0.97 . . . . 0.0 111.035 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -57.9 -43.57 86.22 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.936 0.789 . . . . 0.0 112.705 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.14 -48.64 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.679 1.992 . . . . 0.0 110.743 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.56 36.26 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.52 -41.74 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.719 1.145 . . . . 0.0 111.888 160.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.2 mm -50.7 -45.61 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.495 1.918 . . . . 0.0 112.528 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -54.4 -11.36 0.51 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 171.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -106.96 -44.58 4.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.287 1.435 . . . . 0.0 110.853 166.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.07 -4.85 23.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.83 2.052 . . . . 0.0 114.79 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -47.29 -25.91 1.1 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.086 1.354 . . . . 0.0 112.623 166.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -60.64 -2.12 0.48 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.35 -5.64 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 119.483 3.142 . . . . 0.0 119.483 -163.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.13 -1.99 4.56 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.58 1.536 . . . . 0.0 115.018 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 57.83 -41.46 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 131.385 3.874 . . . . 0.0 117.447 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -39.05 67.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.781 1.633 . . . . 0.0 114.253 -177.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 21.28 16.91 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.183 1.793 . . . . 0.0 111.896 173.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.322 1.6 p 38.15 53.32 1.67 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.014 1.726 . . . . 0.0 112.738 -149.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.63 -63.84 0.45 Allowed Glycine 0 C--N 1.344 0.995 0 C-N-CA 127.632 2.539 . . . . 0.0 114.722 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.75 10.02 0.22 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.042 2.137 . . . . 0.0 113.607 176.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.918 0 C-N-CA 127.02 2.128 . . . . 0.0 109.656 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -148.72 -172.02 4.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 131.237 3.815 . . . . 0.0 106.672 -174.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.36 -53.68 54.75 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 123.367 2.803 . . . . 0.0 110.114 167.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -46.76 84.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.193 0.597 . . . . 0.0 111.579 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -74.31 -33.45 63.19 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.748 -1.12 . . . . 0.0 112.239 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.28 -23.64 54.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.826 1.648 . . . . 0.0 112.188 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.27 91.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.211 0.914 . . . . 0.0 111.053 165.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.92 -28.24 68.78 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 0.0 113.372 163.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.73 39.31 Favored Glycine 0 C--O 1.217 -0.908 0 CA-C-O 117.765 -1.575 . . . . 0.0 111.613 160.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -65.23 -32.11 73.61 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.061 1.931 . . . . 0.0 112.779 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -71.62 -49.79 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.298 -0.876 . . . . 0.0 110.833 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.87 -33.22 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.593 1.557 . . . . 0.0 110.53 170.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.78 -38.78 73.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.865 1.266 . . . . 0.0 112.808 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -61.14 -32.8 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.945 1.248 . . . . 0.0 111.199 168.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 35.1 t80 -65.18 -50.16 67.02 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.163 -0.961 . . . . 0.0 111.029 163.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -66.52 -2.06 4.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.945 2.098 . . . . 0.0 116.264 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -54.72 11.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.631 1.972 . . . . 0.0 109.569 160.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.15 -68.96 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.454 1.502 . . . . 0.0 110.761 -165.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.456 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 43.9 m -77.27 2.61 15.12 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 171.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.07 -21.73 1.87 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.527 0.584 . . . . 0.0 114.158 150.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.7 m -52.18 -41.63 62.79 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.82 1.648 . . . . 0.0 113.32 162.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' B' ' 23' ' ' GLY 0.254 0.0 OUTLIER 42.19 -170.61 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.204 2.602 . . . . 0.0 113.968 -162.124 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.486 ' H ' ' CD ' ' B' ' 22' ' ' GLU . . . 94.02 -1.4 67.78 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.672 1.606 . . . . 0.0 113.099 -171.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . 0.326 0.0 OUTLIER 44.29 1.05 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.134 1 C-N-CA 133.876 4.87 . . . . 0.0 120.526 162.828 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 37.5 p -51.52 -31.94 25.92 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.301 1.841 . . . . 0.0 112.348 120.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -131.37 101.35 5.5 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.56 1.544 . . . . 0.0 110.09 169.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p 47.67 142.48 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 2 C-N-CA 138.249 6.619 . . . . 0.0 119.668 7.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.94 77.23 0.22 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 160.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -60.45 153.76 22.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 149.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -51.53 -27.31 10.39 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.219 1.808 . . . . 0.0 113.129 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.09 -24.89 53.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.779 1.181 . . . . 0.0 115.088 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.64 -45.88 12.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.073 1.436 . . . . 0.0 109.932 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.72 -33.38 61.0 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.15 1.78 . . . . 0.0 114.409 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -59.63 -48.57 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.51 -1.369 . . . . 0.0 113.614 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.23 -11.04 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.457 1.903 . . . . 0.0 112.269 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.39 -40.17 62.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 111.594 162.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' MET . . . . . 0.493 ' C ' ' H ' ' B' ' 39' ' ' LYS . 3.4 mmm -67.77 -48.02 67.57 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.532 1.06 . . . . 0.0 112.434 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.84 7.19 0.13 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.486 2.714 . . . . 0.0 114.213 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' B' ' 37' ' ' MET . 3.8 tptt -147.18 -56.83 0.25 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 129.363 3.065 . . . . 0.0 108.938 -158.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.18 -13.33 15.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.0 39.41 0.48 Allowed Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -35.59 131.85 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.829 3.02 . . . . 0.0 116.287 162.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -32.4 7.41 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.562 1.553 . . . . 0.0 113.732 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.52 -17.42 62.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.83 1.315 . . . . 0.0 111.593 161.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -68.14 -3.76 11.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.497 1.919 . . . . 0.0 113.942 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -53.59 -26.67 22.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.442 1.097 . . . . 0.0 112.844 163.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.81 -32.91 8.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.991 1.316 . . . . 0.0 112.615 169.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.77 0.69 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.429 1.966 . . . . 0.0 116.103 167.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.72 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.222 1.809 . . . . 0.0 113.059 168.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 p30 41.41 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 131.632 3.973 . . . . 0.0 119.205 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER 71.89 -7.01 1.35 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.962 2.505 . . . . 0.0 114.282 -174.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 -12.32 8.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.954 1.702 . . . . 0.0 114.808 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 -46.26 4.36 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.561 1.528 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.11 -31.25 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 161.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.51 -22.57 62.62 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.092 1.757 . . . . 0.0 114.412 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.88 -34.3 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.558 1.527 . . . . 0.0 110.662 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.44 -9.25 23.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.124 0.57 . . . . 0.0 112.233 158.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -85.96 -73.79 0.44 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.985 1.314 . . . . 0.0 109.796 159.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -47.49 -35.35 8.61 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.423 3.489 . . . . 0.0 115.454 -168.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.43 -53.57 55.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.375 0.67 . . . . 0.0 111.786 171.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -46.47 12.03 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.904 1.681 . . . . 0.0 112.059 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -29.02 -37.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 131.583 3.953 . . . . 0.0 114.936 168.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.97 -24.8 7.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.575 1.55 . . . . 0.0 115.101 171.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -6.24 58.45 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.654 1.982 . . . . 0.0 111.473 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.23 -72.13 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 CA-C-N 120.074 1.306 . . . . 0.0 114.832 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.34 -60.82 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.415 1.086 . . . . 0.0 111.786 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 149.53 -46.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 130.531 3.532 . . . . 0.0 109.298 -158.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -63.5 89.79 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.391 0.677 . . . . 0.0 110.497 157.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.03 114.96 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.816 1.646 . . . . 0.0 113.187 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.69 167.85 18.98 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.909 2.483 . . . . 0.0 113.649 166.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -62.77 -33.99 76.31 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.909 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -61.9 -46.05 91.08 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.734 1.152 . . . . 0.0 111.232 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.74 -52.31 66.22 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.133 1.373 . . . . 0.0 109.929 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.24 -60.2 3.97 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.388 0.675 . . . . 0.0 112.256 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.5 tp -57.3 -40.23 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.596 1.089 . . . . 0.0 112.837 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.13 -47.52 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.44 0.696 . . . . 0.0 111.081 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.13 -14.94 54.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.2 -34.22 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 120.139 1.336 . . . . 0.0 109.424 162.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 0.3 7.55 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 166.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 -47.5 5.84 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.535 1.061 . . . . 0.0 110.315 158.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -31.16 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.451 1.9 . . . . 0.0 111.183 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.23 -24.53 28.01 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.594 1.558 . . . . 0.0 114.118 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 81.1 p -89.45 -43.37 10.9 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.521 1.528 . . . . 0.0 110.816 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.58 -24.05 67.34 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.271 -0.893 . . . . 0.0 112.858 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 72.0 m -54.62 -20.86 8.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.75 2.82 . . . . 0.0 113.631 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -57.25 -44.56 83.97 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.732 2.013 . . . . 0.0 113.596 167.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp 54.08 -15.25 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.154 2.982 . . . . 0.0 117.753 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -146.16 -30.78 0.38 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.202 1.801 . . . . 0.0 113.82 170.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.352 0.6 OUTLIER 66.89 -12.54 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 118.116 2.636 . . . . 0.0 118.116 166.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -42.69 -39.12 2.29 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 120.558 1.526 . . . . 0.0 112.081 159.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -125.43 -2.84 7.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.962 2.905 . . . . 0.0 112.514 -169.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.293 60.2 p 61.1 14.7 5.64 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 120.807 -1.183 . . . . 0.0 114.044 -139.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.11 -91.71 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 C-N-CA 128.516 2.96 . . . . 0.0 116.246 160.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.0 -11.01 59.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 117.82 0.81 . . . . 0.0 112.347 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.168 1.787 . . . . 0.0 110.676 164.295 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 24.9 ttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.3 p -149.67 -175.28 4.96 Favored 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.525 4.33 . . . . 0.0 106.746 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.53 -29.18 58.45 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 123.323 2.783 . . . . 0.0 111.861 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.45 -42.37 6.98 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 126.45 1.9 . . . . 0.0 109.992 -166.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.3 mt-10 -67.7 -17.82 64.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.356 162.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 -31.95 25.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.681 1.582 . . . . 0.0 112.328 167.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.94 88.65 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.118 1.326 . . . . 0.0 110.779 163.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.7 mtm -64.47 -35.2 80.17 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 165.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.54 -36.06 17.18 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 117.598 -1.668 . . . . 0.0 112.69 164.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.8 mtt -73.16 -18.67 61.25 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.106 1.953 . . . . 0.0 113.406 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.321 0.2 OUTLIER -111.03 -21.31 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.724 1.147 . . . . 0.0 113.493 -176.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -63.09 -36.86 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 110.271 145.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.75 -51.01 68.81 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 116.802 -1.571 . . . . 0.0 109.841 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.31 -50.23 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 120.936 1.698 . . . . 0.0 111.481 171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.41 -43.63 83.89 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.651 1.114 . . . . 0.0 113.866 170.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 m -67.03 -14.5 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.767 2.027 . . . . 0.0 113.518 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mtm-85 -89.85 -43.31 10.71 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.952 1.701 . . . . 0.0 110.957 169.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.32 -23.28 15.69 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -168.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 p -82.71 -22.7 34.38 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.67 0.388 . . . . 0.0 111.652 148.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.61 -5.96 48.97 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.205 1.383 . . . . 0.0 115.655 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m 122.3 -68.54 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.1 1 C-N-CA 132.042 4.137 . . . . 0.0 106.784 -164.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -138.68 146.06 41.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.577 1.151 . . . . 0.0 109.545 153.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.9 -73.38 0.34 Allowed Glycine 0 C--N 1.339 0.702 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 170.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -58.81 -21.52 56.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 167.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 p 96.46 127.21 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 130.395 3.478 . . . . 0.0 106.142 -139.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.29 2.8 pp0? -56.5 86.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 124.417 2.056 . . . . 0.0 114.472 -152.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -165.32 166.29 18.79 Favored 'General case' 0 N--CA 1.444 -0.736 1 C-N-CA 132.075 4.15 . . . . 0.0 105.178 -172.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.26 125.09 47.25 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.002 1.273 . . . . 0.0 111.566 162.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -70.68 158.28 36.51 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.303 1.049 . . . . 0.0 111.609 156.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -50.84 -33.05 22.15 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.065 2.546 . . . . 0.0 114.079 -175.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -93.62 -20.05 32.99 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.494 1.045 . . . . 0.0 115.256 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -74.7 -42.95 57.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.083 1.353 . . . . 0.0 109.309 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.79 -50.42 60.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.522 2.329 . . . . 0.0 113.649 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -29.94 70.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -164.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -61.34 -27.49 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.224 0.92 . . . . 0.0 112.605 -173.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.0 -39.33 69.31 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.561 1.945 . . . . 0.0 112.435 174.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtt -79.62 -16.02 56.58 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.886 -0.509 . . . . 0.0 112.114 -157.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -59.54 -32.23 70.14 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.324 1.049 . . . . 0.0 112.154 161.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -100.0 -54.85 2.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.71 2.004 . . . . 0.0 109.922 -167.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -102.87 -19.37 14.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.466 1.106 . . . . 0.0 113.57 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -134.17 45.53 1.57 Allowed Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.45 153.65 40.12 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 121.408 1.539 . . . . 0.0 112.133 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 -34.38 4.99 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.518 1.056 . . . . 0.0 112.963 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -74.14 -7.25 51.94 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.967 1.383 . . . . 0.0 112.095 164.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -0.94 57.64 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.683 2.393 . . . . 0.0 114.327 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -68.09 -15.73 63.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.93 0.787 . . . . 0.0 112.004 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 49' ' ' LYS . 1.4 t -94.32 -55.79 3.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.732 1.613 . . . . 0.0 110.66 156.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.21 -23.11 0.2 Allowed Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.328 1.918 . . . . 0.0 116.029 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 47' ' ' SER . 11.3 tmtt? -159.43 -44.06 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.545 2.738 . . . . 0.0 110.925 157.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.259 0.6 OUTLIER 19.23 -72.31 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.144 3.778 . . . . 0.0 115.339 -163.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.0 -18.29 0.05 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 131.185 3.794 . . . . 0.0 110.478 158.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -109.42 -147.76 0.42 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 128.435 2.694 . . . . 0.0 110.311 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 41.39 -71.31 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 131.021 3.728 . . . . 0.0 117.24 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.3 -35.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.135 1.374 . . . . 0.0 110.899 163.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.13 -25.35 66.14 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 125.871 1.668 . . . . 0.0 114.253 169.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -94.77 -38.42 10.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.735 1.152 . . . . 0.0 110.836 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.29 -6.86 0.47 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.001 1.32 . . . . 0.0 113.524 157.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -99.23 -79.37 0.48 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.465 1.906 . . . . 0.0 109.443 159.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -39.88 14.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.406 2.282 . . . . 0.0 115.973 -170.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.333 0.969 . . . . 0.0 110.663 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.43 -43.43 8.75 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.319 1.847 . . . . 0.0 112.172 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -6.79 1.91 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.237 1.415 . . . . 0.0 113.274 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.59 -25.35 2.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.56 1.144 . . . . 0.0 113.479 159.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -80.01 -16.51 54.99 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.871 1.268 . . . . 0.0 113.723 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.21 -97.18 0.73 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.967 1.746 . . . . 0.0 112.332 -170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.8 -84.55 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.492 1.117 . . . . 0.0 110.329 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.8 25.91 1.42 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.019 1.727 . . . . 0.0 112.59 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -138.93 102.0 4.44 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.237 1.015 . . . . 0.0 112.293 168.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -65.14 109.47 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 128.555 2.742 . . . . 0.0 115.769 -166.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.24 164.93 24.7 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.202 1.401 . . . . 0.0 113.643 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -61.38 -33.57 73.88 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.719 -1.238 . . . . 0.0 113.694 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -60.4 -46.68 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.057 1.343 . . . . 0.0 110.099 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.47 -49.17 64.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 127.556 2.343 . . . . 0.0 108.493 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.17 -60.79 2.89 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 117.963 -1.017 . . . . 0.0 112.122 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.99 -41.79 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 120.054 1.297 . . . . 0.0 112.452 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.44 -50.85 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.877 0.871 . . . . 0.0 111.259 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -80.68 -16.61 53.51 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.32 -37.87 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 120.869 1.668 . . . . 0.0 109.675 163.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -9.77 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 169.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.79 -44.97 11.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 110.743 161.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.23 -44.55 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.956 2.103 . . . . 0.0 111.155 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t -51.59 -50.75 59.55 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.917 0.781 . . . . 0.0 111.271 170.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 p -68.85 -16.24 63.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -45.81 22.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.238 -0.914 . . . . 0.0 110.546 165.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -71.36 -43.69 66.45 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.52 1.528 . . . . 0.0 113.828 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.99 9.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.184 3.394 . . . . 0.0 118.797 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -67.88 70.65 0.14 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.873 2.469 . . . . 0.0 113.02 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 81.46 -15.67 0.7 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.25 3.02 . . . . 0.0 118.183 154.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -111.07 -119.64 0.29 Allowed 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.547 1.976 . . . . 0.0 115.335 -168.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -60.71 -17.54 48.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 121.656 2.026 . . . . 0.0 111.669 167.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.449 -0.522 1 C-N-CA 134.63 5.172 . . . . 0.0 114.284 170.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 m -150.75 -63.34 0.19 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.115 1.366 . . . . 0.0 110.77 -173.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.31 -31.08 4.53 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.431 1.967 . . . . 0.0 116.183 -177.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.83 34.1 1.98 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.246 1.023 . . . . 0.0 113.172 169.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 116.266 -1.826 . . . . 0.0 115.011 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -140.21 -110.15 0.15 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.466 1.106 . . . . 0.0 112.673 -160.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -123.39 -49.89 1.9 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.72 2.008 . . . . 0.0 107.508 157.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.85 -58.43 4.38 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.444 1.097 . . . . 0.0 111.312 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.415 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 88.6 mt-10 -72.35 -31.37 65.57 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.181 -0.949 . . . . 0.0 112.021 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.85 -34.59 51.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.117 0.871 . . . . 0.0 112.83 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.42 79.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.619 160.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . 0.255 1.3 ttt -66.92 -25.3 66.3 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 170.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.48 -30.18 33.23 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.913 1.245 . . . . 0.0 113.673 160.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 33.1 mtt -82.96 -13.38 56.11 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.698 1.999 . . . . 0.0 114.244 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.289 0.0 OUTLIER -106.15 -23.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 120.24 1.382 . . . . 0.0 113.009 169.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.52 -29.34 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 118.821 0.737 . . . . 0.0 109.624 150.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.57 -22.09 66.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.73 -37.09 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.804 1.184 . . . . 0.0 110.55 167.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -80.09 -1.65 40.97 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.478 1.111 . . . . 0.0 113.027 168.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -101.32 -7.94 22.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.19 1.396 . . . . 0.0 112.818 165.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -71.59 0.44 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.968 1.707 . . . . 0.0 111.181 175.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -83.28 -85.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.31 0.504 . . . . 0.0 110.686 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -70.44 4.81 2.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.038 1.335 . . . . 0.0 113.163 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.2 -13.37 9.55 Favored Glycine 0 C--N 1.343 0.932 0 C-N-CA 128.361 2.886 . . . . 0.0 114.838 168.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.1 m -145.47 72.99 1.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.35 -1.088 . . . . 0.0 110.129 148.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 70.04 -179.99 0.24 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.931 1.692 . . . . 0.0 113.751 165.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.02 5.89 0.1 OUTLIER Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.764 1.65 . . . . 0.0 114.317 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.02 -15.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.113 1.365 . . . . 0.0 111.954 -151.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.41 HG23 ' H ' ' B' ' 26' ' ' GLN . 1.7 m 81.65 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -110.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.41 ' H ' HG23 ' B' ' 25' ' ' THR . 2.3 pt20 -111.28 81.57 1.46 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.738 1.608 . . . . 0.0 111.328 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 p -143.72 163.95 31.84 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 128.004 2.522 . . . . 0.0 107.003 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mp -83.13 106.21 14.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.647 1.112 . . . . 0.0 108.713 158.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -78.0 153.95 31.93 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.338 -0.851 . . . . 0.0 110.614 157.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -51.41 -38.14 52.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.276 1.83 . . . . 0.0 113.127 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.47 -17.19 80.13 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.481 -1.177 . . . . 0.0 114.681 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -97.36 -44.18 6.99 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.094 1.447 . . . . 0.0 110.028 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -39.79 -52.87 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 128.858 2.863 . . . . 0.0 112.704 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -49.26 -41.39 37.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -69.69 -28.18 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.484 1.114 . . . . 0.0 111.804 -171.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -70.54 -43.81 68.78 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.199 2.199 . . . . 0.0 110.827 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 32.1 mmt -61.79 -36.3 80.67 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.933 0.893 . . . . 0.0 112.569 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.47 -33.95 46.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.97 1.308 . . . . 0.0 112.819 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.82 -43.29 6.81 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.069 1.748 . . . . 0.0 109.802 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -110.04 -17.16 13.65 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.131 0.973 . . . . 0.0 113.542 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -135.18 41.5 0.64 Allowed Pre-proline 0 CA--C 1.575 1.909 0 C-N-CA 127.32 2.248 . . . . 0.0 114.723 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -46.65 -17.93 0.44 Allowed 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 124.498 3.465 . . . . 0.0 119.506 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.99 -16.16 80.87 Favored Glycine 0 N--CA 1.471 0.97 0 O-C-N 120.392 -1.443 . . . . 0.0 114.978 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -98.76 -8.21 26.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -6.8 56.78 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.553 1.941 . . . . 0.0 113.486 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -66.77 -23.25 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.251 168.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.84 -49.77 6.62 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.455 1.502 . . . . 0.0 111.292 158.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.69 -47.75 3.34 Favored Glycine 0 N--CA 1.469 0.889 0 CA-C-O 118.241 -1.311 . . . . 0.0 115.022 170.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER 146.29 101.06 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 1 C-N-CA 132.848 4.459 . . . . 0.0 112.687 166.317 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.68 68.61 1.5 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 157.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER 46.57 5.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.827 2.851 . . . . 0.0 116.467 -168.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 30.8 p-10 -83.42 -80.0 0.19 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.929 2.492 . . . . 0.0 110.589 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.411 ' H ' ' CG ' ' B' ' 52' ' ' ASP . . . -100.42 -176.78 3.31 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.336 1.454 . . . . 0.0 110.248 171.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t 60.26 -55.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.639 1.576 . . . . 0.0 110.599 -151.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -49.71 -44.98 48.61 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.525 1.93 . . . . 0.0 112.093 163.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -10.97 54.46 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.997 1.272 . . . . 0.0 114.19 175.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.62 3.25 25.91 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.339 -0.851 . . . . 0.0 110.665 161.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.51 -70.13 0.82 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.043 2.137 . . . . 0.0 109.578 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -38.11 3.77 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 129.106 2.963 . . . . 0.0 115.181 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -41.66 96.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.332 1.453 . . . . 0.0 112.906 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.2 -39.88 8.65 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.999 2.12 . . . . 0.0 112.881 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.12 -34.66 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 1 C-N-CA 131.869 4.067 . . . . 0.0 113.843 163.254 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.78 -28.82 1.66 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.275 1.83 . . . . 0.0 115.423 170.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -82.71 -20.1 36.72 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.49 1.041 . . . . 0.0 112.571 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.39 -86.01 0.58 Allowed Glycine 0 C--N 1.342 0.872 0 C-N-CA 124.127 0.87 . . . . 0.0 112.734 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -161.73 -41.44 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.834 1.654 . . . . 0.0 112.035 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 169.32 -39.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 131.115 3.766 . . . . 0.0 110.156 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.73 93.42 3.11 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.534 1.159 . . . . 0.0 110.399 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.08 108.43 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 128.052 2.541 . . . . 0.0 112.548 -171.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.01 165.29 11.22 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.833 0.853 . . . . 0.0 112.6 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -56.43 -32.53 64.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 112.41 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -63.7 -52.53 60.15 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.079 1.352 . . . . 0.0 110.089 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.53 -46.27 89.17 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.891 1.676 . . . . 0.0 109.33 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.16 -62.9 1.36 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.086 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 6.8 tp -59.73 -39.07 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 119.715 1.143 . . . . 0.0 113.007 -174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.01 -47.94 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.45 1.1 . . . . 0.0 111.637 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -89.89 -14.84 33.39 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -55.23 -46.19 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 120.016 1.28 . . . . 0.0 108.941 160.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.53 30.39 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.87 16.47 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.855 1.207 . . . . 0.0 111.995 166.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -47.69 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 127.332 2.253 . . . . 0.0 110.503 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -51.31 -54.22 28.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.538 170.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -53.63 -47.99 69.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.177 0.899 . . . . 0.0 111.38 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.33 80.43 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -73.4 -42.64 61.86 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.45 1.477 . . . . 0.0 111.908 167.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -80.03 -33.26 39.32 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 -163.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -54.77 -7.72 0.19 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 -152.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -131.73 1.21 4.0 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 120.246 1.385 . . . . 0.0 113.223 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.258 15.3 t80 58.75 -35.01 0.05 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.233 3.413 . . . . 0.0 117.934 170.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.93 -30.84 66.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.184 1.356 . . . . 0.0 109.758 149.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -62.53 1.8 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.449 1.9 . . . . 0.0 112.269 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.0 t -73.14 -13.05 61.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.056 1.298 . . . . 0.0 113.424 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.33 -33.24 86.72 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.761 1.172 . . . . 0.0 111.926 166.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -81.45 -59.15 2.73 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.584 0.754 . . . . 0.0 111.503 164.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? . . . . . 0 C--O 1.249 1.038 0 CA-C-O 113.754 -3.022 . . . . 0.0 116.636 -177.315 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.7 p -146.79 -165.45 2.24 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.039 2.936 . . . . 0.0 109.471 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -54.33 -59.71 4.31 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.753 2.07 . . . . 0.0 110.145 165.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 tt -42.79 -67.48 0.27 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 128.026 2.531 . . . . 0.0 111.121 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 56.3 mt-10 -74.51 -32.72 62.59 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.44 -166.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.11 -38.95 51.17 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 119.82 1.191 . . . . 0.0 111.451 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.21 80.55 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 117.722 -1.132 . . . . 0.0 110.329 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.335 1.3 ttt -75.52 -2.04 27.1 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.42 62.26 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 118.008 -1.44 . . . . 0.0 112.219 154.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.4 mtp -62.03 -37.42 84.85 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.418 2.109 . . . . 0.0 113.547 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -16.52 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.845 -1.159 . . . . 0.0 112.863 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.32 -36.45 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.803 1.183 . . . . 0.0 110.191 155.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.44 -36.83 66.96 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 119.675 1.125 . . . . 0.0 111.432 173.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -34.15 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 121.254 1.843 . . . . 0.0 113.296 172.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.44 -39.07 85.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.557 0.743 . . . . 0.0 110.45 170.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -26.54 68.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.816 1.647 . . . . 0.0 114.316 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -75.19 -56.71 4.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.271 1.396 . . . . 0.0 110.563 169.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.87 -19.11 13.63 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -161.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 p -82.32 -24.74 34.46 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.449 1.477 . . . . 0.0 109.484 148.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.23 62.99 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 120.637 -1.289 . . . . 0.0 114.885 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.3 m 125.21 -55.19 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.224 1 C-N-CA 132.085 4.154 . . . . 0.0 108.248 -166.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -143.88 135.08 25.68 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.937 2.495 . . . . 0.0 108.628 154.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.05 -15.02 3.2 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 124.321 0.963 . . . . 0.0 112.933 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.16 13.79 0.6 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.074 2.95 . . . . 0.0 110.625 -158.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 p 61.33 174.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.119 1.368 . . . . 0.0 111.558 -117.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.47 69.71 0.6 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.256 -2.153 . . . . 0.0 114.496 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p -144.26 154.82 43.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 126.209 1.804 . . . . 0.0 109.547 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.67 106.54 18.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.536 1.534 . . . . 0.0 109.589 161.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -71.1 160.39 32.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.664 0.665 . . . . 0.0 110.858 160.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -49.85 -39.74 40.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.401 1.48 . . . . 0.0 112.276 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.48 81.1 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.191 1.377 . . . . 0.0 115.626 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -102.94 -50.35 3.54 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.959 2.504 . . . . 0.0 108.725 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tt -42.64 -40.89 2.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.966 2.907 . . . . 0.0 113.151 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -59.25 -36.19 75.06 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.83 -32.33 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.453 1.101 . . . . 0.0 111.498 -169.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.35 -34.03 77.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.698 3.199 . . . . 0.0 112.397 170.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 mmt -79.85 -32.6 40.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 113.037 -161.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.83 -23.42 65.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.21 1.004 . . . . 0.0 112.596 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -107.5 -55.16 2.38 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.461 1.904 . . . . 0.0 109.906 -164.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -109.58 -8.29 15.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.665 1.186 . . . . 0.0 113.337 -168.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.36 32.29 0.22 Allowed Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 168.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -46.96 117.55 2.24 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.57 2.18 . . . . 0.0 113.611 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.5 -39.77 1.73 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.203 1.382 . . . . 0.0 113.244 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.88 -19.15 65.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.332 1.566 . . . . 0.0 111.629 161.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -8.77 9.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.956 2.503 . . . . 0.0 113.855 168.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.38 -20.06 65.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.376 0.989 . . . . 0.0 112.464 162.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -111.73 -47.05 3.18 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.385 1.074 . . . . 0.0 110.311 167.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.53 -31.37 0.22 Allowed Glycine 0 N--CA 1.473 1.141 0 C-N-CA 126.594 2.045 . . . . 0.0 117.858 161.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 -74.54 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.004 2.122 . . . . 0.0 109.438 167.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 53.87 -76.78 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.329 1.852 . . . . 0.0 111.584 -165.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HZ1' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER 172.57 -26.65 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 1 C-N-CA 134.408 5.083 . . . . 0.0 109.56 172.847 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -103.26 1.44 32.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.204 2.602 . . . . 0.0 113.752 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.47 165.61 12.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.288 1.404 . . . . 0.0 110.406 162.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t 60.41 -49.75 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.619 1.168 . . . . 0.0 110.138 -149.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.83 -40.12 20.33 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.216 3.006 . . . . 0.0 115.065 163.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -93.86 -9.21 38.05 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.003 1.274 . . . . 0.0 112.896 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.41 4.78 26.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.75 0.82 . . . . 0.0 110.602 160.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.06 -68.37 0.92 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.958 2.903 . . . . 0.0 108.674 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -31.39 10.26 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.637 2.775 . . . . 0.0 115.287 -176.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.29 -43.56 94.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.241 1.016 . . . . 0.0 112.037 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -43.28 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.824 1.649 . . . . 0.0 112.402 -174.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -24.34 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.763 4.425 . . . . 0.0 115.787 167.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.16 6.37 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.12 -8.66 57.7 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.169 1.788 . . . . 0.0 111.832 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.39 -70.75 0.01 OUTLIER Glycine 0 C--N 1.343 0.945 0 CA-C-N 120.626 1.557 . . . . 0.0 114.672 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -155.64 -63.07 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 148.2 -51.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.801 3.241 . . . . 0.0 108.419 -156.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.28 93.2 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 154.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.29 106.61 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.835 2.454 . . . . 0.0 112.099 -166.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 165.88 4.98 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.782 2.033 . . . . 0.0 113.327 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -60.66 -33.37 72.71 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.505 1.122 . . . . 0.0 112.475 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.2 p -65.28 -54.83 23.36 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.849 0.86 . . . . 0.0 110.551 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.98 -50.76 45.8 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.436 1.494 . . . . 0.0 110.264 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 78' ' ' VAL . 40.4 t80 -57.26 -64.01 1.03 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.984 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.51 -34.53 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.208 1.367 . . . . 0.0 113.419 -174.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -49.59 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.754 0.822 . . . . 0.0 111.316 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -82.78 -16.67 46.96 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 74' ' ' PHE . 37.4 t -56.91 -48.75 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.49 1.041 . . . . 0.0 109.481 161.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.98 -12.11 4.19 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -40.08 13.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.166 1.348 . . . . 0.0 111.999 163.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.59 -41.27 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 127.657 2.383 . . . . 0.0 112.556 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.4 t -60.69 -7.67 2.41 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.8 p -113.22 -29.73 7.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.785 1.634 . . . . 0.0 112.082 167.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.11 -31.65 14.73 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -60.47 -48.42 81.84 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.453 1.479 . . . . 0.0 109.051 165.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.5 -65.66 0.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.225 2.21 . . . . 0.0 112.425 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.26 0.1 OUTLIER 45.43 4.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 1 C-N-CA 132.22 4.208 . . . . 0.0 117.633 -168.445 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 55.54 114.33 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 128.219 2.607 . . . . 0.0 112.708 -158.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -86.33 0.65 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.854 0.862 . . . . 0.0 110.315 173.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -78.2 -40.75 36.64 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.352 . . . . 0.0 109.561 158.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -158.75 -31.3 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 1 C-N-CA 131.883 4.073 . . . . 0.0 112.224 164.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.6 p -147.6 9.86 0.93 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 172.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.28 19.97 79.72 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.436 1.97 . . . . 0.0 113.344 -170.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.35 0.2 OUTLIER 61.04 16.65 7.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.51 2.324 . . . . 0.0 116.17 -157.545 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 C-N-CA 124.135 0.974 . . . . 0.0 111.468 164.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 29.9 p -78.75 -173.62 3.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.336 3.455 . . . . 0.0 112.803 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.28 -49.33 64.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.987 1.721 . . . . 0.0 110.088 170.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -87.51 -26.1 23.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -172.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.425 ' HB2' ' H ' ' B' ' 2' ' ' THR . 96.7 mt-10 -71.38 -26.32 62.74 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.608 163.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.62 60.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.846 1.657 . . . . 0.0 111.828 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.4 81.64 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.729 0.695 . . . . 0.0 110.079 163.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.71 -32.07 73.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.05 -53.94 5.38 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-O 117.825 -1.542 . . . . 0.0 110.347 159.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 70.2 mtp -56.74 -44.42 81.66 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.773 1.787 . . . . 0.0 113.778 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.304 0.0 OUTLIER -79.38 -22.19 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 121.015 1.734 . . . . 0.0 115.376 178.351 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.05 -27.82 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.253 0.933 . . . . 0.0 110.18 160.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -85.23 -32.59 22.53 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.936 1.294 . . . . 0.0 113.56 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.16 -24.56 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 121.282 1.855 . . . . 0.0 111.715 163.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -78.82 -38.3 38.52 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.446 -0.784 . . . . 0.0 111.432 166.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -72.94 0.63 10.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.864 1.666 . . . . 0.0 114.905 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -59.92 2.54 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.552 1.941 . . . . 0.0 108.963 158.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -100.84 -20.85 15.32 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -162.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -85.95 6.16 29.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.169 -0.957 . . . . 0.0 112.228 154.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.98 -0.83 4.52 Favored Glycine 0 N--CA 1.472 1.046 0 N-CA-C 120.62 3.008 . . . . 0.0 120.62 -138.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 41.7 t -131.39 -62.36 0.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.613 -2.365 . . . . 0.0 104.613 151.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.519 ' HB3' ' H ' ' B' ' 26' ' ' GLN . 1.7 mp0 -141.29 164.69 29.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.321 2.248 . . . . 0.0 108.806 157.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.12 45.48 0.58 Allowed Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.85 1.69 . . . . 0.0 109.983 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.0 m 134.17 -152.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 130.015 3.326 . . . . 0.0 106.527 -136.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 79.8 p -98.5 76.03 2.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.636 1.107 . . . . 0.0 108.479 152.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.519 ' H ' ' HB3' ' B' ' 22' ' ' GLU 0.387 2.6 pt20 36.31 31.39 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 130.359 3.464 . . . . 0.0 118.8 -169.484 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.4 p -87.08 168.23 13.47 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.482 0.658 . . . . 0.0 111.334 152.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mp -86.56 104.39 15.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.422 1.489 . . . . 0.0 108.662 153.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -72.08 153.78 41.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 155.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -46.68 -37.72 8.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.02 2.128 . . . . 0.0 113.199 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.28 -21.77 69.41 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.859 -0.967 . . . . 0.0 114.962 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -84.59 -53.16 5.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.849 1.26 . . . . 0.0 109.106 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tt -37.6 -45.4 0.76 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 128.357 2.663 . . . . 0.0 113.141 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -53.63 -40.48 65.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.829 1.195 . . . . 0.0 114.12 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 t -72.02 -29.98 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.997 0.817 . . . . 0.0 111.563 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.21 -38.06 89.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.407 2.283 . . . . 0.0 112.237 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 18.5 mmt -66.04 -37.19 85.23 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.066 0.848 . . . . 0.0 112.032 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -52.99 -30.05 32.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.476 1.11 . . . . 0.0 113.019 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -97.97 -46.09 6.03 Favored 'General case' 0 C--O 1.227 -0.124 0 C-N-CA 126.583 1.953 . . . . 0.0 110.305 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -120.67 -9.36 9.37 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -163.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.31 58.97 23.71 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 119.455 1.025 . . . . 0.0 111.918 155.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 165.15 2.03 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.076 2.517 . . . . 0.0 111.526 163.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.95 -47.9 1.95 Allowed Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.796 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.42 -26.11 62.92 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.73 2.265 . . . . 0.0 111.264 167.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -2.81 0.16 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.149 2.179 . . . . 0.0 114.008 167.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -53.44 -29.16 33.97 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.116 1.326 . . . . 0.0 112.667 159.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -91.73 -38.72 12.23 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.526 1.131 . . . . 0.0 112.629 166.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.51 -80.35 0.31 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.148 1.356 . . . . 0.0 111.619 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.97 119.34 4.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.912 1.285 . . . . 0.0 110.358 158.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -143.04 10.35 1.74 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.88 2.472 . . . . 0.0 111.445 -172.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.456 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP 0.379 0.0 OUTLIER 53.87 7.0 0.1 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.15 3.38 . . . . 0.0 116.478 -162.097 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.456 ' CG ' ' HZ3' ' B' ' 51' ' ' LYS . 33.2 m-20 -105.77 -16.54 14.64 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.09 1.356 . . . . 0.0 111.535 173.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.01 -177.14 4.25 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.086 2.555 . . . . 0.0 109.981 152.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 56.9 -58.77 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 126.964 2.106 . . . . 0.0 112.239 -156.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.32 -33.94 63.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.34 1.456 . . . . 0.0 112.371 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.69 -14.09 25.16 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -1.62 28.08 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.071 0.948 . . . . 0.0 110.088 162.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -113.74 -63.04 1.5 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.82 2.848 . . . . 0.0 110.045 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -29.75 10.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.383 1.873 . . . . 0.0 114.827 -172.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.77 -10.58 59.96 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.308 1.443 . . . . 0.0 114.23 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.78 -29.83 1.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.976 2.111 . . . . 0.0 113.088 -173.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . 0.255 2.5 t0 -42.62 -14.06 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 1 C-N-CA 132.292 4.237 . . . . 0.0 115.048 156.96 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.15 -28.27 0.28 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.219 1.407 . . . . 0.0 113.398 155.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.04 -47.22 87.39 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.82 2.448 . . . . 0.0 115.45 166.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.51 40.4 0.16 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -151.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p30 58.61 -30.52 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 131.519 3.928 . . . . 0.0 119.722 162.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.68 4.29 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.776 2.831 . . . . 0.0 113.887 168.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -128.35 99.6 5.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.557 1.543 . . . . 0.0 110.231 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 t -81.19 121.83 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.046 2.538 . . . . 0.0 112.102 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -73.63 164.81 26.15 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 120.422 1.465 . . . . 0.0 113.744 165.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -56.15 -43.23 78.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.374 1.869 . . . . 0.0 114.015 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -55.12 -31.52 61.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 112.3 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.18 -40.24 9.69 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -160.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -50.42 -48.14 56.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.252 153.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.307 1.4 tp -64.25 -32.44 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 120.666 1.575 . . . . 0.0 113.798 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.01 -46.49 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 120.213 1.369 . . . . 0.0 111.385 168.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.85 -47.48 84.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.562 0.619 . . . . 0.0 111.89 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.42 -31.58 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.155 0.582 . . . . 0.0 111.103 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.15 -2.59 31.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.11 -45.86 8.85 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.213 0.915 . . . . 0.0 110.734 153.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 mm -54.87 -38.27 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.142 1.777 . . . . 0.0 113.354 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.3 t -38.82 -31.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.002 1.721 . . . . 0.0 114.127 164.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 72.1 p -103.62 -47.69 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.962 2.105 . . . . 0.0 113.088 167.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.47 -7.04 50.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -170.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 43.1 m -53.2 -12.11 0.35 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.265 1.426 . . . . 0.0 114.49 168.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -10.98 2.13 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.131 0.973 . . . . 0.0 113.407 172.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -53.25 -21.5 5.47 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.522 1.529 . . . . 0.0 114.985 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . 0.46 ' C ' ' H ' ' B' ' 90' ' ' GLU . 7.0 m-85 -53.14 -71.52 0.07 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.862 2.065 . . . . 0.0 113.66 -177.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.73 17.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.375 1.898 . . . . 0.0 114.182 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' B' ' 88' ' ' TYR . 40.8 tt0 66.6 -38.99 0.33 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.105 2.562 . . . . 0.0 113.306 -141.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 -4.17 2.51 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 119.73 3.233 . . . . 0.0 119.73 -170.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.37 -112.09 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.885 2.474 . . . . 0.0 107.433 164.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 97.25 -64.48 0.95 Allowed Glycine 0 N--CA 1.47 0.94 0 CA-C-N 121.426 1.921 . . . . 0.0 113.386 166.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 tp -139.55 43.43 1.99 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.282 0.563 . . . . 0.0 110.894 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 8.2 tptp . . . . . 0 C--O 1.25 1.098 0 C-N-CA 130.255 3.422 . . . . 0.0 108.66 168.79 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -170.02 0.24 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.466 1.907 . . . . 0.0 113.199 162.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.96 -57.72 10.5 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.416 1.462 . . . . 0.0 113.109 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.496 HD13 HG13 ' B' ' 78' ' ' VAL . 4.3 pp -57.96 -47.83 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.401 1.096 . . . . 0.0 110.499 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.53 -29.41 70.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.353 -0.842 . . . . 0.0 113.199 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -41.62 41.56 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.462 2.305 . . . . 0.0 112.246 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.523 ' HB3' HG23 ' B' ' 11' ' ' ILE . . . -55.28 -50.83 68.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.706 0.684 . . . . 0.0 111.194 169.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.529 ' HG3' HG21 ' B' ' 11' ' ' ILE . 15.3 mtm -59.66 -38.39 81.34 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 170.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.42 -46.71 11.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 118.25 -1.306 . . . . 0.0 113.407 165.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mtt -76.27 -19.93 57.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.243 1.522 . . . . 0.0 114.132 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.556 ' CG2' HG21 ' A' ' 78' ' ' VAL . 45.4 mt -80.81 -45.15 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 119.99 1.268 . . . . 0.0 110.076 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.34 -39.89 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.312 1.445 . . . . 0.0 109.916 162.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.22 -55.82 27.77 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.93 -1.509 . . . . 0.0 111.695 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -45.61 -52.89 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 120.594 1.543 . . . . 0.0 110.332 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.25 -42.68 73.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 m -71.45 -6.11 37.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.634 1.974 . . . . 0.0 114.35 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -91.27 -41.04 11.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.39 1.476 . . . . 0.0 111.075 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -97.31 -45.95 6.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.776 0.83 . . . . 0.0 113.219 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 p -66.15 -20.57 66.18 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.432 -1.417 . . . . 0.0 110.609 155.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 -12.4 4.25 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.615 2.055 . . . . 0.0 116.529 160.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.474 0.75 1 C-N-CA 132.333 4.253 . . . . 0.0 106.922 -163.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.26 109.42 13.58 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 152.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -65.58 156.82 31.53 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.707 149.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -43.35 -40.1 3.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.168 2.187 . . . . 0.0 112.923 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.67 -18.64 78.8 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 118.327 -1.263 . . . . 0.0 114.976 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -86.48 -55.59 3.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.154 1.477 . . . . 0.0 109.245 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -35.74 -39.81 0.16 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.438 2.695 . . . . 0.0 114.246 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -58.52 -37.97 76.75 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.722 1.147 . . . . 0.0 111.526 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.68 -42.17 98.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 130.75 3.62 . . . . 0.0 111.917 165.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.1 mmm -62.57 -47.61 83.08 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 66.6 mt-10 -59.71 -16.5 27.54 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.168 1.387 . . . . 0.0 112.984 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -108.25 -57.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 127.711 2.404 . . . . 0.0 108.638 -170.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.0 -9.29 16.27 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -129.52 42.6 0.92 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 125.878 1.671 . . . . 0.0 114.688 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.94 144.48 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.878 2.386 . . . . 0.0 114.851 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.35 -37.22 3.3 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.766 1.174 . . . . 0.0 113.627 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -70.6 -6.82 39.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.529 1.164 . . . . 0.0 112.03 165.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' GLU . 33.7 mt -80.45 9.95 5.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.958 2.903 . . . . 0.0 114.041 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -53.09 -32.39 46.95 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.525 1.057 . . . . 0.0 112.915 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -95.79 -27.57 15.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.628 1.171 . . . . 0.0 113.824 163.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -31.24 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.234 1.397 . . . . 0.0 114.978 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 -57.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.03 2.132 . . . . 0.0 113.779 162.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -7.13 44.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.27 4.628 . . . . 0.0 120.013 -159.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 17.61 1.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.792 1.637 . . . . 0.0 113.521 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -116.7 -39.35 3.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 113.098 -169.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.64 -31.81 3.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.718 1.607 . . . . 0.0 112.773 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.452 HG13 HD22 ' A' ' 33' ' ' LEU . 1.5 t -53.03 -34.68 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.308 0.504 . . . . 0.0 110.093 154.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.84 -26.43 68.33 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 126.154 1.782 . . . . 0.0 114.504 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -93.93 -32.82 13.72 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.202 1.365 . . . . 0.0 111.67 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' O ' HD21 ' A' ' 61' ' ' LEU . 1.7 mm? -68.08 -5.7 19.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.98 0.912 . . . . 0.0 111.462 162.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tp -93.52 -73.34 0.57 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.3 1.84 . . . . 0.0 109.895 160.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.56 -34.93 3.61 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.293 3.037 . . . . 0.0 115.774 -169.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m-20 -56.29 -52.55 64.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.633 1.173 . . . . 0.0 112.525 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.589 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -88.35 -43.98 11.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.68 1.992 . . . . 0.0 112.498 -174.142 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -29.25 -33.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 132.183 4.193 . . . . 0.0 115.566 167.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.89 -27.77 8.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.971 1.709 . . . . 0.0 115.029 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -6.87 58.57 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.516 1.926 . . . . 0.0 111.714 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.26 -92.5 0.27 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.07 1.319 . . . . 0.0 112.237 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -159.64 -38.78 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 153.9 -8.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 131.629 3.972 . . . . 0.0 112.598 -165.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -103.64 94.0 5.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.676 1.591 . . . . 0.0 108.078 159.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.9 104.97 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 128.128 2.571 . . . . 0.0 111.496 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.7 165.65 6.27 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.112 1.765 . . . . 0.0 112.896 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -58.37 -32.96 69.06 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.033 0.933 . . . . 0.0 111.911 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -60.81 -55.14 36.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.329 1.452 . . . . 0.0 110.075 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.82 -48.83 77.1 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.868 1.267 . . . . 0.0 109.7 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.1 t80 -58.62 -60.2 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.754 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 8' ' ' MET . 10.7 tp -58.46 -41.26 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.132 1.333 . . . . 0.0 112.085 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.3 t -57.59 -49.24 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.506 1.122 . . . . 0.0 110.273 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 11.1 m-85 -80.98 -12.03 59.45 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.556 HG21 ' CG2' ' A' ' 11' ' ' ILE . 59.1 t -64.74 -35.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 121.865 2.121 . . . . 0.0 110.189 164.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.99 -2.0 22.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 165.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.55 -36.81 10.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.555 -1.341 . . . . 0.0 111.835 163.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.87 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 129.275 3.03 . . . . 0.0 110.865 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t -46.15 -54.18 9.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.191 0.997 . . . . 0.0 112.571 164.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 p -72.97 -7.55 51.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.809 1.644 . . . . 0.0 114.436 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.901 1.28 . . . . 0.0 109.017 168.813 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 35.0 ttm . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -152.36 -170.02 3.52 Favored 'General case' 0 CA--C 1.547 0.834 1 C-N-CA 131.859 4.064 . . . . 0.0 105.908 -174.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.05 -49.59 67.12 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 122.935 2.607 . . . . 0.0 111.373 165.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 78' ' ' VAL . 6.2 tp -53.33 -42.44 66.75 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.157 1.383 . . . . 0.0 111.893 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 83.3 mt-10 -88.52 -7.91 55.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -41.17 35.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 120.788 1.631 . . . . 0.0 109.241 163.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.37 67.37 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.837 161.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.475 ' HA ' ' CD1' ' B' ' 11' ' ' ILE 0.345 0.0 OUTLIER -56.88 -37.24 71.09 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.374 1.443 . . . . 0.0 112.922 171.483 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.61 -52.26 5.44 Favored Glycine 0 C--O 1.218 -0.892 0 C-N-CA 126.107 1.813 . . . . 0.0 111.889 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' MET . . . . . 0.441 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.56 -33.9 47.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.614 1.707 . . . . 0.0 114.557 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.544 ' CG1' HD11 ' B' ' 75' ' ' ILE 0.282 0.0 OUTLIER -67.24 -38.01 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.052 1.751 . . . . 0.0 112.948 171.386 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.1 mm -69.75 -31.18 47.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-O 117.189 -1.386 . . . . 0.0 109.77 165.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.412 ' HA ' ' HB3' ' B' ' 16' ' ' SER 0.266 25.1 t70 -57.17 -45.4 83.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.973 1.715 . . . . 0.0 111.319 -171.23 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.588 HG13 HD11 ' B' ' 36' ' ' LEU . 90.2 t -45.05 -38.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.836 1.198 . . . . 0.0 112.831 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -80.5 -32.36 36.99 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.185 2.194 . . . . 0.0 113.83 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -69.02 -9.1 50.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.419 2.688 . . . . 0.0 114.0 163.091 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 7.5 mtm180 -94.27 -62.18 1.38 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.283 1.433 . . . . 0.0 111.129 169.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.483 ' CD1' HD13 ' B' ' 36' ' ' LEU . 1.5 m-85 -73.76 -72.89 0.24 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.542 0.671 0 C-N-CA 126.47 1.908 . . . . 0.0 113.435 163.708 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -69.19 103.3 1.89 Allowed 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 154.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -68.25 146.8 53.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 122.002 0.906 . . . . 0.0 109.159 149.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -41.31 -41.25 1.88 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.604 2.362 . . . . 0.0 113.95 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -22.99 77.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.546 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.43 -51.24 6.67 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.74 1.616 . . . . 0.0 109.921 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG13 ' B' ' 54' ' ' VAL . 3.3 tt -40.28 -49.17 2.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.999 2.12 . . . . 0.0 112.483 175.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -55.69 -18.71 8.65 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -165.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.77 -12.6 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.386 1.474 . . . . 0.0 111.515 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.588 HD11 HG13 ' B' ' 14' ' ' VAL . 27.1 tp -76.52 -43.96 37.07 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 127.09 2.156 . . . . 0.0 111.657 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 6.2 mmm -67.02 -28.97 68.67 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.592 0.757 . . . . 0.0 111.713 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -56.74 -23.42 42.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.933 1.693 . . . . 0.0 112.972 169.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -108.42 -41.78 4.76 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 126.242 1.817 . . . . 0.0 110.116 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -120.3 -5.33 9.91 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.76 44.14 1.28 Allowed Pre-proline 0 CA--C 1.566 1.572 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 163.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -40.14 -21.38 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 1 C-N-CA 126.469 4.78 . . . . 0.0 119.338 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.83 -20.29 56.14 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 120.159 1.345 . . . . 0.0 114.659 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.18 -30.71 69.88 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.316 1.558 . . . . 0.0 111.408 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -0.94 2.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.813 1.645 . . . . 0.0 113.857 -171.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -53.88 -26.99 27.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.182 1.793 . . . . 0.0 113.029 157.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -90.72 -66.22 0.95 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.651 0.781 . . . . 0.0 109.907 161.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.99 -43.41 1.69 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 115.199 0.84 . . . . 0.0 115.199 166.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -75.01 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.824 0.85 . . . . 0.0 111.876 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' B' ' 52' ' ' ASP . 8.3 m-20 65.88 0.34 1.53 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.193 2.197 . . . . 0.0 116.116 164.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER 42.59 -0.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.53 3.532 . . . . 0.0 117.081 -161.604 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' B' ' 50' ' ' ASP . 0.8 OUTLIER -124.98 -1.07 7.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 128.792 2.837 . . . . 0.0 112.833 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.34 -43.56 2.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.138 0.975 . . . . 0.0 111.835 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.527 HG13 HD22 ' B' ' 33' ' ' LEU . 0.9 OUTLIER -51.61 -34.24 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.675 0.39 . . . . 0.0 110.547 157.096 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.38 -20.19 65.52 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 127.976 2.51 . . . . 0.0 114.788 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -35.54 10.36 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.773 1.17 . . . . 0.0 109.45 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.435 ' O ' HD21 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.2 -0.37 1.2 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.341 1.857 . . . . 0.0 112.726 156.69 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 tp -104.84 -67.27 0.92 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.316 2.246 . . . . 0.0 108.586 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 9.8 mmtm -45.49 -28.25 0.88 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.357 2.663 . . . . 0.0 115.551 -175.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.33 -20.23 63.87 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 172.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.643 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -128.76 -29.81 2.33 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.551 2.34 . . . . 0.0 112.709 -172.088 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.7 OUTLIER -43.84 -14.72 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 131.997 4.119 . . . . 0.0 115.044 156.257 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.38 -31.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.04 1.736 . . . . 0.0 113.289 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.42 -42.73 95.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.457 2.303 . . . . 0.0 116.109 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.66 29.96 0.18 Allowed Glycine 0 CA--C 1.536 1.344 0 N-CA-C 116.555 1.382 . . . . 0.0 116.555 -154.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 t0 52.73 -5.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 131.287 3.835 . . . . 0.0 119.176 166.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -177.35 -4.27 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.531 2.732 . . . . 0.0 112.9 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -115.15 96.85 5.88 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 123.139 1.447 . . . . 0.0 108.717 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 HD12 ' B' ' 61' ' ' LEU . 27.2 t -78.68 115.47 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 128.34 2.656 . . . . 0.0 109.765 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.2 169.73 17.66 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.235 1.379 . . . . 0.0 113.044 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -53.29 56.53 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.894 1.678 . . . . 0.0 111.645 -177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 73' ' ' GLU . 8.8 p -65.18 3.28 0.64 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.286 2.234 . . . . 0.0 114.403 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 72' ' ' SER . 9.6 mm-40 -120.27 -50.99 2.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.331 2.252 . . . . 0.0 108.771 -170.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -46.57 -47.73 19.72 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.362 0.665 . . . . 0.0 110.282 157.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.544 HD11 ' CG1' ' B' ' 11' ' ' ILE . 2.8 tp -63.66 -34.04 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.89 -48.8 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.17 0.895 . . . . 0.0 109.711 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.643 ' CG ' HD22 ' B' ' 61' ' ' LEU . 74.7 t80 -63.28 -41.98 99.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.215 1.006 . . . . 0.0 111.779 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.496 HG13 HD13 ' A' ' 4' ' ' LEU . 76.5 t -53.35 -47.95 57.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.745 1.218 . . . . 0.0 109.875 170.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.51 2.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.62 -41.02 9.95 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.865 1.211 . . . . 0.0 111.005 153.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -58.45 -22.89 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.817 1.647 . . . . 0.0 112.495 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 14.8 t -50.58 -31.57 16.19 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.006 -1.684 . . . . 0.0 113.888 163.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -83.04 -1.56 53.02 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.258 1.023 . . . . 0.0 112.712 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 126.583 1.953 . . . . 0.0 111.944 167.465 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttm . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 p -153.76 -177.59 6.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 130.058 3.343 . . . . 0.0 106.28 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -56.7 -54.28 48.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.334 1.425 . . . . 0.0 111.238 171.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 HG22 ' B' ' 11' ' ' ILE . 4.5 tp -52.2 -50.95 60.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.437 2.295 . . . . 0.0 111.415 174.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.92 -26.23 40.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.369 1.067 . . . . 0.0 113.794 -171.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -57.69 11.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.125 0.875 . . . . 0.0 109.783 167.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.84 62.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.978 0.911 . . . . 0.0 111.661 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.507 ' SD ' HG12 ' B' ' 78' ' ' VAL . 77.7 mtm -65.13 -30.35 71.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 173.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -22.32 31.54 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.461 -1.188 . . . . 0.0 113.392 164.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.8 mtp -85.93 -24.93 26.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.719 1.759 . . . . 0.0 113.712 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -93.21 -25.98 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 120.793 -1.192 . . . . 0.0 112.77 171.231 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mt -67.87 -30.18 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 116.721 -1.609 . . . . 0.0 111.059 155.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.76 -54.66 44.42 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.384 2.356 . . . . 0.0 110.197 165.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.27 -38.44 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 119.385 0.993 . . . . 0.0 112.519 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.98 -43.31 68.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.742 1.156 . . . . 0.0 114.046 168.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -61.37 -10.66 7.74 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.314 2.245 . . . . 0.0 113.499 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH22 ' CD ' ' B' ' 3' ' ' GLU . 21.2 ttt180 -112.18 -34.66 5.86 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 131.146 3.778 . . . . 0.0 111.592 -173.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 28.4 m-85 -109.62 -10.66 14.83 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -103.07 2.37 34.68 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.11 1.323 . . . . 0.0 111.689 148.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.38 26.9 62.42 Favored Glycine 0 CA--C 1.538 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 112.228 -166.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 128.008 2.523 . . . . 0.0 111.744 -163.731 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 117.784 -1.103 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.16 103.19 0.45 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.638 1.175 . . . . 0.0 110.845 162.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -70.43 165.25 22.93 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.984 -1.072 . . . . 0.0 111.524 158.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -55.38 -31.09 61.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.673 1.589 . . . . 0.0 113.309 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 -19.15 55.23 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.969 1.271 . . . . 0.0 115.091 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -85.33 -40.57 16.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.233 2.613 . . . . 0.0 109.293 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.71 -34.2 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.068 2.947 . . . . 0.0 115.175 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.75 -41.35 68.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -165.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.75 -11.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.914 1.286 . . . . 0.0 112.113 -174.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 4.3 tp -78.73 -34.39 45.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.205 3.002 . . . . 0.0 112.137 165.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.4 mmt -71.6 -53.53 13.42 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.166 0.894 . . . . 0.0 110.926 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -48.35 -35.85 13.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.395 1.478 . . . . 0.0 112.15 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -67.86 0.76 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 129.341 3.056 . . . . 0.0 112.406 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 -4.1 20.94 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -165.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 HD13 ' B' ' 4' ' ' LEU . 5.3 mp -131.83 55.61 19.2 Favored Pre-proline 0 CA--C 1.557 1.245 0 C-N-CA 125.427 1.491 . . . . 0.0 114.321 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -39.43 154.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.334 3.356 . . . . 0.0 115.346 154.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.04 -56.86 4.62 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 124.102 0.858 . . . . 0.0 112.322 -176.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -55.76 -23.51 30.0 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.54 1.136 . . . . 0.0 112.36 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.03 -15.1 20.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.494 2.318 . . . . 0.0 114.8 170.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -60.16 -26.49 66.35 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.947 1.249 . . . . 0.0 112.539 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 m -101.69 -41.22 6.64 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.416 0.686 . . . . 0.0 110.968 162.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.59 -12.28 0.09 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 165.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.31 0.0 OUTLIER 172.12 -118.72 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 133.18 4.592 . . . . 0.0 107.403 170.06 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 55.5 m-20 49.47 33.29 5.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.641 1.977 . . . . 0.0 113.24 170.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER 49.54 -6.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.791 3.636 . . . . 0.0 117.35 -167.117 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -87.05 -22.54 25.39 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.087 1.312 . . . . 0.0 112.969 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.75 -174.59 4.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.532 1.133 . . . . 0.0 110.408 162.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.2 t 62.34 -61.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 126.618 1.967 . . . . 0.0 110.1 -162.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -55.42 -36.23 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.969 1.708 . . . . 0.0 113.511 165.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -89.75 -19.79 24.33 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.44 1.44 16.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.694 0.797 . . . . 0.0 111.344 164.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -110.26 -65.3 1.17 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 129.056 2.943 . . . . 0.0 109.201 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -27.68 24.52 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.972 2.109 . . . . 0.0 115.433 -172.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.33 -32.61 60.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.539 0.609 . . . . 0.0 111.816 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -94.61 -39.2 10.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.678 1.591 . . . . 0.0 112.527 -177.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -28.74 -35.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 132.698 4.399 . . . . 0.0 115.59 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -22.35 13.18 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.482 1.513 . . . . 0.0 114.982 171.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -11.53 53.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.84 1.656 . . . . 0.0 111.809 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.04 -74.33 0.01 OUTLIER Glycine 0 C--N 1.342 0.864 0 CA-C-N 120.685 1.584 . . . . 0.0 114.29 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.04 -62.94 0.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 144.47 -50.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.175 3.39 . . . . 0.0 107.832 -154.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.57 97.26 0.07 Allowed 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.454 -0.779 . . . . 0.0 109.358 153.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.97 101.97 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.683 1.993 . . . . 0.0 111.435 -165.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.47 162.65 4.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.908 1.683 . . . . 0.0 112.804 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.76 -33.68 68.75 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.283 -0.865 . . . . 0.0 113.073 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -63.79 -54.57 33.11 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.909 0.884 . . . . 0.0 110.545 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.62 -50.87 59.41 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.473 1.509 . . . . 0.0 110.214 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -57.81 -65.6 0.61 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.362 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.462 HG12 HG21 ' B' ' 82' ' ' THR . 7.6 tp -58.58 -35.38 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 120.363 1.438 . . . . 0.0 112.98 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.0 -53.79 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.258 1.023 . . . . 0.0 111.086 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -79.94 -15.05 58.08 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 t -55.2 -51.41 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 120.465 1.484 . . . . 0.0 108.42 161.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.94 -15.18 41.3 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.53 -38.4 23.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.218 165.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.89 -47.93 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.055 1.742 . . . . 0.0 111.018 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -63.34 -22.84 67.12 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -82.61 -43.09 17.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.898 1.226 . . . . 0.0 111.105 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 125.463 1.505 . . . . 0.0 112.416 178.305 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 56.2 p -142.95 -102.74 0.13 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 109.792 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' CD ' HH22 ' A' ' 17' ' ' ARG . 19.0 tt0 -131.61 -52.39 1.0 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.722 2.009 . . . . 0.0 107.788 156.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 41' ' ' LEU . 4.2 tt -46.55 -50.26 17.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.081 1.353 . . . . 0.0 111.633 162.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.59 -18.36 58.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.669 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -40.92 61.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.944 1.702 . . . . 0.0 111.154 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.27 94.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.763 1.225 . . . . 0.0 110.744 166.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.7 mtm -63.56 -28.79 70.18 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 -21.08 29.33 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 118.389 -1.229 . . . . 0.0 113.112 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 37.8 mtt -88.24 -36.95 16.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.64 1.72 . . . . 0.0 112.774 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.479 HG22 HD12 ' A' ' 4' ' ' LEU 0.281 0.0 OUTLIER -77.64 -25.33 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.84 -1.162 . . . . 0.0 113.054 170.706 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mm -72.11 -34.26 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.173 160.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.55 -50.05 68.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 121.588 1.995 . . . . 0.0 110.566 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.528 ' CG1' HD21 ' B' ' 36' ' ' LEU . 43.4 t -48.81 -52.27 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.346 0.975 . . . . 0.0 111.803 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.94 -47.81 70.89 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.712 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -64.35 -10.03 21.76 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.955 2.502 . . . . 0.0 114.919 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -93.09 -63.54 1.2 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.015 0.825 . . . . 0.0 109.065 165.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.586 ' CG ' HD22 ' B' ' 36' ' ' LEU 0.261 0.2 OUTLIER -78.52 -13.4 59.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 -166.492 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 C-N-CA 125.544 1.538 . . . . 0.0 111.581 157.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.95 114.49 27.15 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.672 -0.642 . . . . 0.0 110.66 158.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -62.14 147.65 46.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.9 0.857 . . . . 0.0 110.875 143.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -43.08 -34.61 1.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.716 2.806 . . . . 0.0 114.077 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.51 59.27 Favored Glycine 0 CA--C 1.533 1.201 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.212 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.52 -48.05 11.47 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.344 1.572 . . . . 0.0 109.635 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -37.67 -49.26 1.11 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.653 2.381 . . . . 0.0 114.097 -177.259 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' N ' HD23 ' B' ' 33' ' ' LEU . 17.3 pttm -49.77 -42.79 47.42 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -169.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.44 -26.83 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.238 0.926 . . . . 0.0 113.32 -167.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.586 HD22 ' CG ' ' B' ' 18' ' ' TYR . 22.5 tp -75.49 -39.34 58.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.738 1.215 . . . . 0.0 111.524 175.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.481 ' SD ' HD12 ' B' ' 57' ' ' LEU . 31.9 mmt -56.44 -31.74 64.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.23 1.012 . . . . 0.0 112.115 -169.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.82 -20.57 36.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.464 2.306 . . . . 0.0 114.187 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -113.84 -46.3 3.03 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.033 1.733 . . . . 0.0 111.074 -163.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -4.04 10.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' N ' ' CD ' ' B' ' 42' ' ' PRO . 21.4 mt -126.48 33.13 0.24 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 127.298 2.239 . . . . 0.0 114.85 167.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 41' ' ' LEU . 47.7 Cg_exo -42.27 -28.53 0.94 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.558 4.172 . . . . 0.0 119.473 -177.11 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.33 -34.18 84.49 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-N 120.475 1.488 . . . . 0.0 113.294 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' B' ' 81' ' ' ILE . 98.9 m-85 -76.05 -11.65 59.98 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.945 0.872 . . . . 0.0 113.083 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 7.15 1.03 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -45.53 -31.52 1.84 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.384 1.074 . . . . 0.0 113.72 162.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -92.05 -31.79 15.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.03 1.732 . . . . 0.0 113.701 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.41 7.81 4.5 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.616 2.055 . . . . 0.0 116.894 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.362 0.0 OUTLIER 110.22 112.75 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.605 4.762 . . . . 0.0 111.501 -179.502 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -141.98 5.66 1.73 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.912 3.285 . . . . 0.0 111.526 -164.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.402 0.0 OUTLIER 46.89 22.91 0.22 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 129.465 3.106 . . . . 0.0 115.076 -161.279 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.45 -27.93 1.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.103 1.761 . . . . 0.0 115.73 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 -40.77 5.68 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 121.691 2.042 . . . . 0.0 111.455 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.83 -29.58 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.513 0.725 . . . . 0.0 110.759 158.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.01 -25.8 56.06 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 126.253 1.821 . . . . 0.0 114.856 172.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -87.92 -39.88 14.4 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.358 1.89 . . . . 0.0 111.38 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' SD ' ' B' ' 37' ' ' MET . 0.1 OUTLIER -55.38 -10.7 0.65 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.334 2.254 . . . . 0.0 111.861 160.586 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.53 -62.49 1.23 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.093 2.157 . . . . 0.0 111.318 161.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -50.42 -33.0 19.26 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.567 2.347 . . . . 0.0 115.332 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.99 -8.32 48.08 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-N 119.508 1.049 . . . . 0.0 113.761 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -138.49 -34.17 0.64 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.46 1.904 . . . . 0.0 113.08 -170.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.9 OUTLIER -37.04 -27.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 130.443 3.497 . . . . 0.0 114.145 153.71 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.82 -24.49 1.45 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.321 2.249 . . . . 0.0 114.644 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -73.16 -21.8 60.63 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 171.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.08 -77.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.846 1.212 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -178.53 -50.44 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.909 1.284 . . . . 0.0 113.229 -156.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 163.53 -1.2 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 130.875 3.67 . . . . 0.0 113.047 -160.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -114.92 101.19 8.79 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.182 1.393 . . . . 0.0 111.471 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 61' ' ' LEU . 30.2 t -78.06 136.66 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.795 2.038 . . . . 0.0 112.453 -172.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -111.19 168.28 9.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.821 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -58.31 -48.59 80.04 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.411 1.485 . . . . 0.0 111.387 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -66.15 -6.68 14.21 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 127.28 2.232 . . . . 0.0 113.345 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.85 -48.29 3.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.377 1.471 . . . . 0.0 109.757 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' B' ' 61' ' ' LEU . 73.7 t80 -51.54 -48.25 63.1 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.572 169.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 tp -57.68 -31.03 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.76 -47.62 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 110.602 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' B' ' 61' ' ' LEU . 35.1 t80 -59.15 -43.53 92.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.817 0.847 . . . . 0.0 112.001 174.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.507 HG12 ' SD ' ' A' ' 8' ' ' MET . 53.4 t -50.34 -52.07 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.676 1.59 . . . . 0.0 109.96 169.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.67 17.98 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.56 -39.8 15.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.159 1.345 . . . . 0.0 111.587 162.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' B' ' 77' ' ' PHE . 14.4 mm -54.04 -44.78 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.657 1.183 . . . . 0.0 112.441 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.462 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -59.53 -7.67 1.55 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 35.2 m -106.75 -43.5 4.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.233 1.413 . . . . 0.0 111.212 165.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 125.179 1.392 . . . . 0.0 113.111 179.066 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.5 p -154.71 -173.86 4.74 Favored 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 133.533 4.733 . . . . 0.0 105.097 -174.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CD ' HH22 ' B' ' 17' ' ' ARG . 28.8 tt0 -69.07 -43.09 75.3 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 124.743 3.429 . . . . 0.0 109.764 170.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' B' ' 11' ' ' ILE . 5.5 tt -46.89 -59.4 3.11 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.734 1.213 . . . . 0.0 111.394 170.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 92.7 mt-10 -76.73 -29.0 56.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.524 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.5 64.52 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.809 1.64 . . . . 0.0 111.046 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.12 93.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.742 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.595 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.264 2.8 mtt -68.96 -28.64 66.81 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.272 1.396 . . . . 0.0 114.568 171.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.43 -47.83 7.02 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-O 117.818 -1.545 . . . . 0.0 111.853 155.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtp -66.12 -30.1 70.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.175 1.987 . . . . 0.0 114.92 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -86.68 -25.04 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 121.315 1.87 . . . . 0.0 113.052 174.273 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mm -60.34 -35.21 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 118.724 0.693 . . . . 0.0 109.468 153.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 6.2 t0 -77.38 -17.14 58.45 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 120.177 -1.577 . . . . 0.0 113.153 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.1 -22.47 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 O-C-N 119.215 -2.178 . . . . 0.0 111.541 162.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 28' ' ' LEU . 22.3 t80 -80.4 -29.7 37.73 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.525 -1.359 . . . . 0.0 111.391 165.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 46.7 t -62.75 -31.19 72.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.661 1.984 . . . . 0.0 112.894 164.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -63.73 1.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.696 1.134 . . . . 0.0 110.438 166.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.451 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 9.2 m-85 -98.22 -47.01 5.62 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -152.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -5.79 12.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.582 0.753 . . . . 0.0 112.763 158.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.84 4.92 56.08 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.088 1.327 . . . . 0.0 113.532 -172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.472 0.659 1 C-N-CA 132.797 4.439 . . . . 0.0 106.056 -163.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 mp -104.59 114.06 28.03 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 128.013 2.525 . . . . 0.0 108.928 155.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -77.65 165.96 23.6 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.99 0.9 . . . . 0.0 111.589 159.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -55.35 -33.51 63.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.262 1.825 . . . . 0.0 113.518 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.43 -8.79 73.7 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.152 1.358 . . . . 0.0 115.123 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -101.0 -37.52 8.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.266 2.226 . . . . 0.0 109.664 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.86 -43.59 73.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.016 2.526 . . . . 0.0 113.177 165.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -45.82 87.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.301 1.41 . . . . 0.0 113.884 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.89 -16.12 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.34 1.456 . . . . 0.0 113.261 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 8.9 tp -77.32 -32.96 55.64 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.511 2.324 . . . . 0.0 112.404 165.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -89.47 -36.81 15.2 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.22 0.918 . . . . 0.0 112.385 -169.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -50.63 -27.36 6.75 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.774 1.63 . . . . 0.0 112.011 166.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -99.2 -61.39 1.37 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 128.962 2.905 . . . . 0.0 111.562 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.39 0.54 14.8 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.49 42.73 0.78 Allowed Pre-proline 0 CA--C 1.572 1.817 0 C-N-CA 126.0 1.72 . . . . 0.0 114.961 169.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -41.21 -32.44 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 125.545 4.163 . . . . 0.0 118.753 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -19.67 73.07 Favored Glycine 0 CA--C 1.534 1.268 0 O-C-N 120.958 -1.089 . . . . 0.0 114.358 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -89.14 -12.43 41.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.812 1.245 . . . . 0.0 111.751 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.64 5.59 45.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.863 1.665 . . . . 0.0 112.929 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.8 -18.78 65.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.47 0.708 . . . . 0.0 111.777 160.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -97.81 -80.74 0.44 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.135 1.374 . . . . 0.0 108.192 158.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.83 -15.1 60.01 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 116.969 -2.017 . . . . 0.0 117.588 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.46 ' CG ' ' H ' ' A' ' 50' ' ' ASP 0.323 0.0 OUTLIER -153.01 -90.54 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.041 2.421 . . . . 0.0 112.208 173.158 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.46 ' H ' ' CG ' ' A' ' 49' ' ' LYS . 3.9 m-20 60.39 3.98 0.63 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.328 2.651 . . . . 0.0 116.313 155.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.347 0.0 OUTLIER 40.12 32.11 0.11 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.353 2.261 . . . . 0.0 113.894 -154.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -134.73 -165.97 1.74 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 129.166 2.986 . . . . 0.0 107.691 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 46.04 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.863 2.465 . . . . 0.0 116.057 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -46.5 -45.35 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.998 1.719 . . . . 0.0 110.69 161.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.8 -22.62 65.17 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.987 1.315 . . . . 0.0 113.783 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.16 -38.78 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.628 1.103 . . . . 0.0 111.513 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.04 -7.36 2.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.161 1.385 . . . . 0.0 112.628 162.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.71 -78.77 0.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.609 1.963 . . . . 0.0 108.249 156.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -40.55 23.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -168.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.3 -33.67 76.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.354 1.062 . . . . 0.0 112.033 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -98.16 -38.49 9.3 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.185 1.394 . . . . 0.0 112.169 178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -4.95 0.76 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.819 1.248 . . . . 0.0 113.619 172.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.86 -24.77 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.033 -1.042 . . . . 0.0 113.338 159.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -80.28 -16.54 54.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 113.719 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.96 -98.41 0.68 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.924 1.725 . . . . 0.0 112.627 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -157.52 -81.9 0.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.571 1.148 . . . . 0.0 111.426 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.49 25.03 0.98 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.341 1.856 . . . . 0.0 112.723 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -139.36 109.74 6.56 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.048 1.339 . . . . 0.0 109.325 164.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.76 112.91 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.608 1.963 . . . . 0.0 112.873 -166.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.75 166.8 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.638 1.175 . . . . 0.0 113.117 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -60.83 -34.37 74.45 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.811 -1.181 . . . . 0.0 113.626 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -65.32 -52.67 52.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.233 1.013 . . . . 0.0 110.456 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.52 -51.17 60.86 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 129.211 3.004 . . . . 0.0 109.806 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -54.02 -67.4 0.26 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.9 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 tp -58.04 -37.16 59.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 120.595 1.543 . . . . 0.0 113.539 -169.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.16 -51.39 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.27 1.028 . . . . 0.0 110.779 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.2 -17.89 54.0 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.6 t -58.13 -48.09 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 120.288 1.404 . . . . 0.0 108.471 163.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.33 28.78 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 167.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.17 -24.4 24.49 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.679 -1.263 . . . . 0.0 112.893 165.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.15 -42.29 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.235 1.814 . . . . 0.0 110.678 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.491 HG21 HG12 ' B' ' 75' ' ' ILE . 7.5 t -55.07 -42.14 72.39 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.483 -0.761 . . . . 0.0 111.277 163.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -64.78 -22.76 67.05 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.682 1.193 . . . . 0.0 112.614 172.834 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.488 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.272 0.082 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 26.9 p -153.43 -176.21 5.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.759 3.624 . . . . 0.0 107.477 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.19 -47.62 80.8 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 123.572 2.896 . . . . 0.0 109.743 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -59.37 5.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.06 1.744 . . . . 0.0 111.774 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 98.4 mt-10 -73.6 -29.98 62.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 118.326 -0.845 . . . . 0.0 113.242 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -39.82 66.42 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.579 1.536 . . . . 0.0 111.285 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.27 90.69 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.582 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -61.41 -32.33 72.28 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 170.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.11 -33.95 11.42 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.929 -1.484 . . . . 0.0 112.959 164.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 43.5 mtt -75.63 -32.85 60.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.946 1.873 . . . . 0.0 113.406 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.5 -26.23 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 120.141 1.337 . . . . 0.0 113.194 177.277 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.96 -37.28 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.968 156.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.11 -44.1 93.29 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 120.321 1.419 . . . . 0.0 111.88 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -53.0 -31.32 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 121.302 1.865 . . . . 0.0 112.595 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 71' ' ' PHE . 46.7 t80 -82.08 -33.32 29.89 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.302 1.041 . . . . 0.0 113.646 170.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -83.45 1.19 42.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 128.311 2.645 . . . . 0.0 113.688 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.481 HH22 ' CD ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -70.5 -59.87 2.59 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.136 2.574 . . . . 0.0 108.669 156.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -87.62 -74.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.83 1.652 . . . . 0.0 111.259 -165.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.7 p . . . . . 0 N--CA 1.477 0.921 0 O-C-N 121.263 -0.898 . . . . 0.0 113.116 167.81 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.19 102.03 10.84 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.087 -1.008 . . . . 0.0 108.578 157.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -66.43 152.81 44.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.176 153.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -49.23 -34.29 14.64 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.892 1.677 . . . . 0.0 113.645 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.11 -25.08 64.82 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.552 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -84.67 -40.37 17.49 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.211 1.404 . . . . 0.0 110.193 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.12 -39.03 19.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.242 2.217 . . . . 0.0 113.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -62.55 -48.43 79.52 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -11.25 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.13 1.372 . . . . 0.0 113.796 -169.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.15 -41.58 41.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 129.569 3.148 . . . . 0.0 111.572 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.7 mmt -70.57 -35.51 73.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.045 0.938 . . . . 0.0 112.022 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.35 -33.29 28.83 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.395 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -97.6 -50.0 4.65 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.658 1.983 . . . . 0.0 110.047 -169.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -109.68 -6.81 15.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 113.803 -165.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.97 38.65 0.34 Allowed Pre-proline 0 CA--C 1.579 2.058 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -38.51 10.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.565 2 C-N-CA 129.449 6.766 . . . . 0.0 124.575 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.03 -7.68 2.52 Favored Glycine 0 N--CA 1.472 1.097 0 CA-C-N 121.771 2.078 . . . . 0.0 116.265 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CD2' HD21 ' B' ' 57' ' ' LEU . 96.9 m-85 -73.83 -10.84 60.08 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.217 1.509 . . . . 0.0 111.451 156.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.02 -6.99 37.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.797 2.439 . . . . 0.0 113.511 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -61.48 -22.84 65.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.373 1.069 . . . . 0.0 112.267 164.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 6.8 t -104.55 -49.13 3.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.799 1.239 . . . . 0.0 111.019 160.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.26 -18.99 0.26 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 117.55 -1.694 . . . . 0.0 117.257 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -7.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.32 2.248 . . . . 0.0 115.686 169.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.22 47.77 1.47 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.39 1.45 . . . . 0.0 114.91 -151.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 -26.38 0.12 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.41 2.684 . . . . 0.0 114.224 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -82.1 -19.38 40.25 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.63 1.972 . . . . 0.0 113.585 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -144.01 -177.1 5.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.364 1.465 . . . . 0.0 111.03 166.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t 59.35 -61.38 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.1 2.16 . . . . 0.0 110.606 -156.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.96 -29.94 22.61 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.318 1.447 . . . . 0.0 113.05 166.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.01 -13.83 19.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.488 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.4 mm? -81.23 -3.79 53.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.651 0.78 . . . . 0.0 110.555 160.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -96.98 -74.01 0.58 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.52 2.328 . . . . 0.0 108.507 164.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 12.2 mmtm -44.77 -35.33 2.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 128.425 2.69 . . . . 0.0 116.248 -169.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.87 -47.75 79.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.846 1.258 . . . . 0.0 113.101 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.34 -41.21 9.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.762 2.025 . . . . 0.0 112.286 -173.573 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -37.5 -24.4 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 131.656 3.983 . . . . 0.0 114.857 165.03 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.64 -28.59 2.45 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.023 1.729 . . . . 0.0 114.785 164.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -18.82 41.63 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.405 1.082 . . . . 0.0 112.926 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.54 -96.96 0.81 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.74 1.638 . . . . 0.0 112.62 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -165.24 -42.15 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 157.18 -3.46 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 131.44 3.896 . . . . 0.0 113.592 -164.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -111.42 87.41 2.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.905 1.682 . . . . 0.0 108.406 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.62 102.97 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 127.689 2.395 . . . . 0.0 112.238 -169.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.08 165.56 10.95 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 125.202 1.401 . . . . 0.0 112.84 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 2.9 p90 -63.29 -27.45 69.34 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.893 -1.129 . . . . 0.0 113.444 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.0 p -60.15 -57.44 12.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.575 1.15 . . . . 0.0 110.777 172.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.66 -51.41 60.3 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.959 2.104 . . . . 0.0 109.847 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -54.62 -62.25 1.78 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.049 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.491 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -60.9 -38.98 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 119.606 1.094 . . . . 0.0 112.524 -172.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 52.3 t -55.66 -49.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.745 1.218 . . . . 0.0 110.8 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -84.5 -15.47 45.8 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.595 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.9 t -57.46 -36.58 53.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 120.58 1.537 . . . . 0.0 109.482 160.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.58 9.73 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 167.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 -41.89 8.55 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.818 156.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.42 -31.33 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.154 1.382 . . . . 0.0 111.403 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -57.39 -22.51 43.28 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.7 p -86.07 -29.27 23.52 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.575 1.079 . . . . 0.0 111.985 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 113.137 168.684 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.0 ttm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -153.21 -170.09 3.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 128.836 2.854 . . . . 0.0 108.382 -165.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.19 -54.3 46.8 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 123.541 2.882 . . . . 0.0 109.021 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.495 ' CD2' HG13 ' B' ' 78' ' ' VAL . 6.6 tt -51.87 -60.04 3.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.836 2.055 . . . . 0.0 111.259 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.63 -21.89 37.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.873 0.869 . . . . 0.0 112.84 -168.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -49.22 45.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.897 1.68 . . . . 0.0 110.005 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 91.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.729 ' SD ' HG12 ' B' ' 78' ' ' VAL . 3.9 mtt -75.54 -25.29 57.05 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.352 1.433 . . . . 0.0 114.697 169.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.11 -33.02 6.9 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 117.775 -1.57 . . . . 0.0 113.303 156.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.9 mtt -74.77 -17.59 60.61 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.613 2.206 . . . . 0.0 114.363 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -25.43 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.869 1.213 . . . . 0.0 113.363 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.17 -31.97 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 118.972 0.805 . . . . 0.0 109.316 153.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.54 -34.16 76.51 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 120.276 -1.515 . . . . 0.0 112.588 166.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.9 -53.66 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 121.632 2.015 . . . . 0.0 110.236 172.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -46.55 -47.61 19.61 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.229 0.331 . . . . 0.0 111.123 167.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 m -68.49 -16.78 64.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -67.89 -44.97 75.77 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.27 1.85 . . . . 0.0 109.057 162.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.76 -15.18 13.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -153.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.34 6.17 30.28 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.383 0.992 . . . . 0.0 111.456 148.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.65 51.42 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.014 1.292 . . . . 0.0 115.192 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 130.502 3.521 . . . . 0.0 107.875 -158.11 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 97.61 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.522 1.129 . . . . 0.0 110.725 161.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -72.23 165.23 24.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.291 -0.881 . . . . 0.0 111.584 162.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -57.78 -28.83 64.34 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.602 1.561 . . . . 0.0 113.765 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.27 -16.92 61.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.729 1.157 . . . . 0.0 115.265 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -93.52 -37.32 11.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.614 2.365 . . . . 0.0 110.209 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.62 HD22 HG13 ' A' ' 54' ' ' VAL . 7.9 tt -55.27 -34.23 63.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 129.644 3.177 . . . . 0.0 114.521 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -74.64 -42.92 57.69 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -168.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.75 -18.01 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 124.835 1.254 . . . . 0.0 111.579 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.27 -28.56 63.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.547 2.739 . . . . 0.0 112.235 167.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -20.41 19.22 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.644 -1.285 . . . . 0.0 113.338 -169.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.58 -7.36 14.45 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.869 1.268 . . . . 0.0 112.849 167.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -138.22 -61.16 0.61 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.779 2.032 . . . . 0.0 109.657 -148.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -11.65 18.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -130.7 42.37 0.89 Allowed Pre-proline 0 CA--C 1.558 1.256 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.66 142.82 48.96 Favored 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 121.512 1.576 . . . . 0.0 112.768 171.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 -34.26 5.88 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.861 1.696 . . . . 0.0 113.908 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.73 -17.2 64.48 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.743 -1.445 . . . . 0.0 111.272 162.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 4.88 3.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.449 2.3 . . . . 0.0 114.036 172.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -51.21 -25.86 6.13 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.237 0.926 . . . . 0.0 113.226 161.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -109.24 -60.99 1.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.85 1.66 . . . . 0.0 109.804 164.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -10.77 66.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.65 1.595 . . . . 0.0 115.092 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -170.04 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.196 1.498 . . . . 0.0 112.379 -170.62 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.55 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 48.1 m-20 44.52 17.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 133.354 4.661 . . . . 0.0 117.064 176.288 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.322 0.1 OUTLIER 47.95 15.37 0.06 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 128.748 2.819 . . . . 0.0 115.683 -171.573 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -135.41 4.67 3.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.63 1.572 . . . . 0.0 113.759 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.22 -67.1 1.01 Allowed 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.074 1.306 . . . . 0.0 112.233 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG13 HD22 ' A' ' 33' ' ' LEU . 1.4 t -54.48 -35.47 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.336 0.654 . . . . 0.0 110.448 166.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.76 -20.16 65.19 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.461 1.505 . . . . 0.0 114.135 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -97.47 -39.96 8.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.089 1.313 . . . . 0.0 111.654 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.65 -3.08 0.43 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.273 1.029 . . . . 0.0 112.921 157.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -98.94 -68.99 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.975 2.11 . . . . 0.0 110.413 158.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.67 12.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.967 2.107 . . . . 0.0 116.292 -171.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.93 -34.29 64.28 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.133 1.333 . . . . 0.0 112.16 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -94.54 -39.57 10.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.644 1.578 . . . . 0.0 111.953 -176.091 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -29.2 -38.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.306 3.843 . . . . 0.0 115.633 167.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.09 -21.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -18.44 28.95 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.711 1.204 . . . . 0.0 112.473 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.12 -71.62 0.02 OUTLIER Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.731 1.605 . . . . 0.0 114.015 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -150.19 -63.36 0.21 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 145.04 -51.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 130.04 3.336 . . . . 0.0 107.767 -154.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.58 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 150.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.32 107.31 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.909 2.084 . . . . 0.0 111.856 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.52 163.1 11.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.541 1.536 . . . . 0.0 112.817 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -56.65 -31.84 64.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.792 0.837 . . . . 0.0 112.763 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.7 -51.99 65.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.514 1.526 . . . . 0.0 110.58 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -47.14 87.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.808 1.643 . . . . 0.0 109.659 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.6 -64.82 0.77 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 117.636 -1.173 . . . . 0.0 110.81 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.75 -40.35 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.564 1.529 . . . . 0.0 112.982 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.2 -49.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.714 0.806 . . . . 0.0 111.771 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -87.55 -17.9 30.98 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.37 -48.5 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.41 1.459 . . . . 0.0 108.678 159.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.88 -12.17 60.13 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.76 -49.68 17.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.884 1.22 . . . . 0.0 109.986 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mm -47.45 -49.41 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.612 1.965 . . . . 0.0 113.119 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -49.5 -36.37 22.82 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -94.25 -39.35 10.57 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.393 0.542 . . . . 0.0 111.599 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 125.189 1.395 . . . . 0.0 113.448 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -133.13 -99.82 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.839 0.745 . . . . 0.0 111.532 -160.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -143.04 -55.83 0.41 Allowed 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 128.596 2.759 . . . . 0.0 105.793 168.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 tt -44.8 -60.14 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.742 1.617 . . . . 0.0 113.434 155.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.8 -31.98 70.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.317 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.06 73.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.991 1.269 . . . . 0.0 112.277 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.168 1.387 . . . . 0.0 111.054 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -62.22 -27.63 69.12 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.07 1.304 . . . . 0.0 114.081 171.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.08 -11.34 1.42 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 127.136 2.303 . . . . 0.0 113.911 164.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 71.0 mtp -102.49 -10.76 19.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.283 1.833 . . . . 0.0 112.718 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -13.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.946 1.248 . . . . 0.0 113.512 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -70.35 -6.07 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 118.658 0.663 . . . . 0.0 111.345 145.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -117.45 -26.74 6.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.894 1.678 . . . . 0.0 113.252 -174.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -26.97 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 119.618 -1.926 . . . . 0.0 110.851 147.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.19 -12.35 59.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.286 165.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 6.7 p -72.53 -91.16 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 115.22 -2.324 . . . . 0.0 107.397 165.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.29 -82.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 128.685 2.794 . . . . 0.0 112.811 162.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.404 ' HB3' ' H ' ' B' ' 19' ' ' SER 0.264 0.4 OUTLIER -40.38 -88.23 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.145 1 C-N-CA 137.719 6.407 . . . . 0.0 115.407 161.021 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.404 ' H ' ' HB3' ' B' ' 18' ' ' TYR . 10.5 p . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 119.26 36.15 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.881 1.673 . . . . 0.0 111.322 167.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -66.49 155.88 36.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.242 151.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -46.67 -38.39 9.71 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.912 2.085 . . . . 0.0 112.572 169.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.58 89.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.267 1.413 . . . . 0.0 113.799 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -83.96 -44.61 14.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.055 1.428 . . . . 0.0 110.375 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -44.74 -43.04 8.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.699 1.6 . . . . 0.0 112.239 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -50.41 -39.45 47.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.33 -40.04 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 120.013 1.279 . . . . 0.0 112.83 -159.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.94 -35.55 69.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.52 0.728 . . . . 0.0 111.503 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt -56.36 -39.65 73.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.911 0.884 . . . . 0.0 112.254 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -56.96 -19.44 18.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.253 1.821 . . . . 0.0 114.111 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -114.22 -52.9 2.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.727 2.011 . . . . 0.0 109.159 -168.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.63 0.88 19.26 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.86 34.88 0.28 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 164.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.22 -20.05 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.736 3.624 . . . . 0.0 119.669 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.22 -49.47 52.46 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 120.195 1.361 . . . . 0.0 112.049 169.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.39 -30.93 70.86 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.369 -1.077 . . . . 0.0 111.851 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.33 -6.3 0.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -11.07 56.73 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.227 1.376 . . . . 0.0 112.143 162.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.38 -17.38 25.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.356 2.262 . . . . 0.0 112.439 164.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.53 -87.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.063 0 C-N-CA 128.043 2.735 . . . . 0.0 114.767 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.57 -68.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.716 2.406 . . . . 0.0 111.083 172.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.04 -43.24 0.16 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.157 2.583 . . . . 0.0 116.004 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER 139.24 -14.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 137.433 6.293 . . . . 0.0 112.429 175.57 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.91 -20.1 14.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.88 1.672 . . . . 0.0 113.609 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.23 169.81 9.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.017 0.826 . . . . 0.0 109.352 156.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.65 -46.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.306 1.842 . . . . 0.0 110.56 -159.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -44.98 -57.83 3.56 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 126.398 1.879 . . . . 0.0 112.325 154.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -0.77 19.24 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.58 -63.41 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 117.947 -1.025 . . . . 0.0 108.93 150.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -38.89 -65.12 0.39 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.153 1.381 . . . . 0.0 111.605 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -23.08 21.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.322 2.649 . . . . 0.0 115.126 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -53.26 7.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.755 0.822 . . . . 0.0 110.994 172.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.594 HD12 HG11 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -64.35 -45.04 89.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.865 0.866 . . . . 0.0 111.56 178.106 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.64 -36.57 0.26 Allowed 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.346 4.258 . . . . 0.0 115.351 177.726 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.3 -16.72 3.67 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -16.96 27.82 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.003 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.43 -67.46 0.01 OUTLIER Glycine 0 N--CA 1.474 1.192 0 CA-C-N 121.445 1.929 . . . . 0.0 115.288 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -140.3 -62.96 0.49 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -172.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 137.85 -52.02 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 129.731 3.213 . . . . 0.0 108.022 -150.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -74.82 86.55 2.22 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 109.42 163.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' B' ' 73' ' ' GLU . 2.4 t -64.4 111.95 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.934 2.494 . . . . 0.0 113.45 -163.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.35 162.9 5.61 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.377 1.871 . . . . 0.0 112.763 166.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -37.82 64.53 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.009 0.923 . . . . 0.0 111.746 174.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 -45.97 91.36 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 110.998 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.636 ' HB2' HG13 ' B' ' 69' ' ' VAL . 16.2 mt-10 -61.74 -50.71 71.32 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.798 1.239 . . . . 0.0 110.147 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -61.11 -55.04 37.09 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.184 0.594 . . . . 0.0 111.438 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.16 -41.63 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.966 0.906 . . . . 0.0 112.372 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -53.96 -48.41 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.168 0.987 . . . . 0.0 111.187 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -79.76 -24.02 41.81 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.729 HG12 ' SD ' ' A' ' 8' ' ' MET . 24.5 t -52.13 -36.14 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 120.596 1.544 . . . . 0.0 110.776 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.09 63.09 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 172.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.07 -48.45 16.04 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.256 0.935 . . . . 0.0 109.897 163.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.72 -46.05 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.803 2.041 . . . . 0.0 112.801 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -53.02 -28.82 26.14 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.164 0.986 . . . . 0.0 112.829 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.0 p -88.65 -41.52 12.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.701 0.8 . . . . 0.0 112.708 168.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 125.52 1.528 . . . . 0.0 113.227 -173.83 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 32.7 ttm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -155.85 -173.19 4.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 131.332 3.853 . . . . 0.0 106.652 -172.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.43 -52.92 63.18 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 122.689 2.495 . . . . 0.0 111.297 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.53 -52.17 49.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.577 1.551 . . . . 0.0 110.905 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 36.8 mt-10 -79.59 -13.67 59.36 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.18 63.64 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.067 1.758 . . . . 0.0 109.867 171.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.31 89.93 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.497 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' HG12 ' B' ' 78' ' ' VAL . 61.0 mtm -62.52 -32.41 73.34 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.55 1.523 . . . . 0.0 113.93 169.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.68 -41.33 9.64 Favored Glycine 0 C--O 1.214 -1.103 0 CA-C-O 117.454 -1.748 . . . . 0.0 111.386 163.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.9 mtp -68.47 -31.68 71.15 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.232 2.016 . . . . 0.0 114.182 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.315 0.0 OUTLIER -91.21 -30.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.11 1.323 . . . . 0.0 113.75 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.83 -32.65 57.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 121.73 -0.606 . . . . 0.0 110.481 157.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.28 -40.57 70.82 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 120.557 -1.339 . . . . 0.0 111.619 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.68 -47.19 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.734 1.606 . . . . 0.0 110.989 165.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.48 -21.94 66.19 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -90.2 -7.08 54.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.764 1.626 . . . . 0.0 112.9 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -73.62 -55.85 5.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.908 1.283 . . . . 0.0 110.221 165.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -102.73 -52.36 3.1 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -159.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -10.02 31.32 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.012 0.823 . . . . 0.0 112.147 154.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 -9.06 10.18 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.811 1.672 . . . . 0.0 115.912 161.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.866 1 C-N-CA 131.998 4.119 . . . . 0.0 106.286 -157.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.8 p . . . . . 0 C--O 1.225 -0.223 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.62 116.03 21.17 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 150.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -73.61 163.34 28.14 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.596 -0.842 . . . . 0.0 111.316 152.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -55.77 -30.2 60.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.39 1.876 . . . . 0.0 113.16 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.4 -14.39 74.05 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.022 1.296 . . . . 0.0 114.987 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -102.44 -39.42 7.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 128.362 2.665 . . . . 0.0 109.879 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -26.97 25.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.285 2.234 . . . . 0.0 114.837 168.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -81.86 -48.22 11.82 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.035 1.289 . . . . 0.0 114.291 -165.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -15.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.903 1.681 . . . . 0.0 111.792 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.99 -68.45 0.39 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.299 2.24 . . . . 0.0 110.672 157.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . 0.345 8.2 ptm -53.74 -14.5 0.94 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 -168.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.43 -35.55 70.22 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 121.302 1.864 . . . . 0.0 113.311 165.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.99 -49.56 6.52 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 128.835 2.854 . . . . 0.0 111.197 -161.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -0.73 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.418 1.487 . . . . 0.0 113.925 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mt -122.79 31.88 0.2 Allowed Pre-proline 0 CA--C 1.566 1.581 0 C-N-CA 125.188 1.395 . . . . 0.0 114.168 160.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -54.41 132.56 51.59 Favored 'Trans proline' 0 C--N 1.362 1.268 0 CA-C-N 122.733 2.012 . . . . 0.0 113.038 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.2 -38.42 3.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.709 1.623 . . . . 0.0 112.209 -172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.441 1.12 . . . . 0.0 111.244 166.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.04 7.65 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 130.286 3.434 . . . . 0.0 114.136 171.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -47.57 -30.15 3.37 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.172 1.351 . . . . 0.0 113.759 166.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.7 m -91.09 -18.87 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.64 1.976 . . . . 0.0 114.814 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.23 -79.14 0.01 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.265 1.888 . . . . 0.0 112.81 -158.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.2 125.23 11.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.335 1.854 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -138.59 4.13 2.35 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.333 2.253 . . . . 0.0 112.326 -170.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 48.76 23.15 0.62 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 128.646 2.778 . . . . 0.0 115.56 -162.397 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.26 -6.18 1.4 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.5 -53.06 2.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.418 1.887 . . . . 0.0 110.69 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -44.11 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.038 0.935 . . . . 0.0 110.107 161.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.56 -18.83 62.91 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 125.46 1.504 . . . . 0.0 114.044 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -98.73 -23.78 15.29 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.218 1.372 . . . . 0.0 111.686 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.91 0.52 10.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.838 . . . . 0.0 111.543 156.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -102.38 -74.87 0.62 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.707 1.603 . . . . 0.0 110.214 162.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -42.84 3.28 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.613 3.165 . . . . 0.0 115.046 -170.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 m-20 -55.87 -48.62 75.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.028 1.331 . . . . 0.0 112.303 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -86.05 -46.41 10.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.82 1.648 . . . . 0.0 112.199 -177.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.05 -35.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 131.636 3.975 . . . . 0.0 114.828 169.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.96 -26.47 1.76 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.367 1.867 . . . . 0.0 115.345 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.53 -14.18 49.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.944 1.698 . . . . 0.0 112.014 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.82 -66.82 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 120.362 1.437 . . . . 0.0 114.95 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.09 -59.56 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.732 0.813 . . . . 0.0 112.764 -167.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.17 -51.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 130.292 3.437 . . . . 0.0 107.836 -155.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.67 97.2 0.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.379 0.609 . . . . 0.0 110.177 157.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.0 102.78 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 129.598 3.159 . . . . 0.0 111.361 -169.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.48 164.55 3.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.941 1.696 . . . . 0.0 112.704 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -56.78 -33.51 66.71 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 123.678 0.791 . . . . 0.0 112.043 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -62.42 -53.5 53.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.426 1.49 . . . . 0.0 110.528 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.14 -49.92 75.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.371 1.468 . . . . 0.0 109.518 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 78' ' ' VAL . 55.6 t80 -56.48 -64.69 0.78 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.42 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.66 -37.49 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 120.158 1.345 . . . . 0.0 113.164 -173.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.64 -51.31 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 123.662 0.785 . . . . 0.0 110.957 172.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 6.7 m-85 -77.77 -20.79 52.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG12 ' SD ' ' B' ' 8' ' ' MET . 70.4 t -55.08 -53.61 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 162.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.4 -7.31 6.27 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 171.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.58 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.127 1.331 . . . . 0.0 111.907 162.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.51 -47.37 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.998 2.119 . . . . 0.0 111.429 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 HG12 ' B' ' 75' ' ' ILE . 8.8 t -56.13 -9.6 0.67 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 173.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.6 p -109.3 -35.49 6.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.785 1.634 . . . . 0.0 112.153 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 125.803 1.641 . . . . 0.0 113.896 -176.581 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpp . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.5 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.8 p -134.16 -172.83 3.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.432 2.693 . . . . 0.0 108.632 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.58 -56.76 17.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.14 1.791 . . . . 0.0 111.294 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.44 -46.54 63.05 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.962 1.705 . . . . 0.0 112.344 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' B' ' 2' ' ' THR . 57.0 mt-10 -78.46 -30.79 47.63 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.84 80.02 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 120.004 1.274 . . . . 0.0 110.626 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.84 69.83 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.241 0.616 . . . . 0.0 110.373 165.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.466 ' SD ' HG12 ' A' ' 78' ' ' VAL . 67.0 mtm -60.89 -32.7 72.15 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.26 -34.97 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 118.619 -1.1 . . . . 0.0 112.438 164.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mtt -80.54 -37.19 31.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.164 1.482 . . . . 0.0 113.383 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -30.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.444 1.474 . . . . 0.0 112.463 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm -63.1 -42.1 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.759 161.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.93 -48.96 74.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.18 1.355 . . . . 0.0 113.124 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -33.51 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.161 1.346 . . . . 0.0 112.436 -176.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 53.4 t80 -72.87 -42.13 63.97 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.162 1.385 . . . . 0.0 113.61 167.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 17.1 t -71.65 1.42 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.426 1.891 . . . . 0.0 114.178 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -87.96 -57.64 2.86 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.165 1.786 . . . . 0.0 109.926 159.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 36' ' ' LEU . 6.3 m-85 -76.99 -45.25 28.01 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -170.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 0.0 112.814 162.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p . . . . . 0 C--O 1.233 0.223 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.7 mp -90.11 109.46 20.52 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 153.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -67.82 157.01 35.79 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.722 148.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.414 ' HB2' HD22 ' B' ' 58' ' ' LEU . 72.1 tttt -45.85 -34.69 3.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.811 2.444 . . . . 0.0 113.501 171.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.65 -28.44 55.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.463 1.03 . . . . 0.0 114.76 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.45 -49.48 16.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.607 1.563 . . . . 0.0 108.899 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -47.43 -39.62 16.03 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.159 2.184 . . . . 0.0 113.34 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -60.74 -47.0 88.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.51 1.505 . . . . 0.0 114.546 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.64 -6.03 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.057 1.343 . . . . 0.0 112.133 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' B' ' 18' ' ' TYR . 47.8 tp -90.45 -36.8 14.35 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.637 2.775 . . . . 0.0 111.624 174.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mmt -69.1 -25.82 64.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 111.675 -172.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.74 -25.8 55.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.646 1.178 . . . . 0.0 113.084 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -106.78 -48.67 3.46 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.669 1.988 . . . . 0.0 109.906 -167.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.15 -35.45 21.71 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.475 1.51 . . . . 0.0 114.232 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.74 40.87 0.65 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 126.577 1.951 . . . . 0.0 115.082 -165.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -34.94 127.41 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 123.062 2.508 . . . . 0.0 113.759 157.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.45 -40.38 2.46 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.858 1.218 . . . . 0.0 113.788 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -65.89 -22.51 66.52 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.881 1.84 . . . . 0.0 110.991 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -6.97 29.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.322 2.649 . . . . 0.0 113.526 171.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.12 -23.58 67.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.858 1.208 . . . . 0.0 111.613 166.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.3 t -96.25 -67.28 0.86 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.838 0.855 . . . . 0.0 109.958 155.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.36 3.62 66.51 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-O 117.05 -1.972 . . . . 0.0 115.563 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.253 0.0 OUTLIER 173.87 -108.85 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.342 2.657 . . . . 0.0 111.357 -176.339 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 9.6 m-20 49.86 18.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.385 2.674 . . . . 0.0 115.348 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.7 18.72 0.2 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.535 2.734 . . . . 0.0 116.116 -161.009 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.62 -10.42 7.34 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.442 1.897 . . . . 0.0 114.43 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.92 175.13 9.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.319 1.447 . . . . 0.0 109.697 160.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t 57.94 -64.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 126.274 1.83 . . . . 0.0 110.65 -160.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -48.26 -39.02 20.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.058 2.143 . . . . 0.0 113.465 167.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -92.72 -9.46 40.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.495 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.0 mm? -88.75 -1.08 57.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.924 0.489 . . . . 0.0 110.231 163.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' B' ' 30' ' ' LYS . 6.3 tp -102.15 -71.42 0.72 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.593 2.357 . . . . 0.0 109.736 167.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.4 1.47 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.287 3.035 . . . . 0.0 115.668 -170.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -46.0 90.91 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.629 1.972 . . . . 0.0 113.008 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.52 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -101.34 -25.97 13.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.81 2.444 . . . . 0.0 113.086 -174.187 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.4 -22.01 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 131.499 3.92 . . . . 0.0 114.244 163.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.89 -24.7 0.15 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.04 2.136 . . . . 0.0 114.507 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -48.99 -40.74 31.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.756 2.422 . . . . 0.0 115.04 165.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.49 -72.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.58 0.61 . . . . 0.0 113.795 -165.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -160.25 -50.58 0.05 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -160.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 158.28 3.94 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 130.886 3.674 . . . . 0.0 113.323 -157.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -121.62 93.66 4.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.297 1.839 . . . . 0.0 109.611 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.484 HG11 HD12 ' B' ' 61' ' ' LEU . 20.8 t -72.53 122.81 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.774 2.43 . . . . 0.0 111.279 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.251 0.3 OUTLIER -87.11 169.98 11.91 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 120.057 1.299 . . . . 0.0 114.213 167.461 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.59 -36.56 67.02 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.223 1.809 . . . . 0.0 112.8 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.02 -11.02 55.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.844 2.058 . . . . 0.0 112.986 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -127.59 -45.79 1.47 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 126.977 2.111 . . . . 0.0 108.649 -158.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 60.7 t80 -40.04 -62.0 0.79 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.784 151.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -57.61 -37.79 60.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.24 -47.78 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.998 0.817 . . . . 0.0 110.761 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -83.51 -22.33 32.5 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.486 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.7 t -51.3 -51.35 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.903 1.281 . . . . 0.0 108.912 159.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.16 -7.48 9.17 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.78 13.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.23 1.377 . . . . 0.0 111.686 161.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mm -51.26 -48.64 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.95 1.7 . . . . 0.0 110.809 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -53.95 -24.35 16.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.6 m -94.87 -34.53 12.41 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.118 0.967 . . . . 0.0 111.268 172.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 125.522 1.529 . . . . 0.0 114.701 179.266 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.084 0.469 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -150.4 -169.32 3.35 Favored 'General case' 0 N--CA 1.472 0.666 1 C-N-CA 132.834 4.454 . . . . 0.0 106.019 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.71 -52.93 63.02 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 122.251 2.296 . . . . 0.0 111.508 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 11' ' ' ILE . 4.2 tp -50.43 -54.96 18.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.958 1.703 . . . . 0.0 110.421 175.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.08 -23.94 51.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.53 68.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.464 1.484 . . . . 0.0 110.828 170.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.5 92.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.918 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -34.01 76.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.93 1.241 . . . . 0.0 114.287 168.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.0 -28.89 7.92 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.142 163.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 mtt -80.68 -27.22 37.15 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.023 1.912 . . . . 0.0 113.682 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.459 HD11 HD11 ' B' ' 11' ' ' ILE 0.258 0.0 OUTLIER -90.68 -25.78 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 120.724 1.602 . . . . 0.0 112.877 172.713 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.56 -32.14 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.573 154.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 32.9 t70 -68.06 -31.28 70.81 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 121.111 1.778 . . . . 0.0 113.331 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 36' ' ' LEU . 40.9 t -58.02 -31.23 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.253 1.842 . . . . 0.0 111.451 167.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.31 -10.68 59.0 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.899 1.28 . . . . 0.0 114.296 168.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP 0.274 0.0 OUTLIER -94.55 -23.09 17.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.638 1.575 . . . . 0.0 113.884 171.865 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -64.08 0.97 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.214 1.806 . . . . 0.0 111.467 164.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.99 -67.15 0.86 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.769 0.828 . . . . 0.0 111.926 -168.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 4.34 1.33 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.618 1.967 . . . . 0.0 115.363 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.81 55.17 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.089 1.328 . . . . 0.0 115.857 170.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.22 -0.456 1 C-N-CA 132.298 4.239 . . . . 0.0 105.185 -173.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.18 77.47 1.28 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.559 1.171 . . . . 0.0 110.178 155.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -61.06 153.4 25.55 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.505 153.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -46.0 -33.25 3.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.965 2.106 . . . . 0.0 113.233 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.54 -26.02 52.18 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.599 1.095 . . . . 0.0 115.438 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -79.74 -51.71 8.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.295 1.838 . . . . 0.0 109.094 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.32 -36.16 41.35 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.564 2.745 . . . . 0.0 113.976 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -61.78 -47.8 83.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -171.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -67.82 -42.77 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.243 0.929 . . . . 0.0 110.113 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 31.5 tp -45.49 -36.21 4.33 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.273 1.829 . . . . 0.0 112.391 168.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.411 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.39 -20.17 44.65 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -174.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.87 -13.14 61.33 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.643 1.11 . . . . 0.0 112.054 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -129.53 -43.97 1.25 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.012 2.525 . . . . 0.0 110.292 -150.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HB3' ' H ' ' B' ' 4' ' ' LEU . 3.5 mt-10 -126.66 -5.96 6.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.402 1.481 . . . . 0.0 113.903 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.36 37.23 0.36 Allowed Pre-proline 0 CA--C 1.559 1.32 0 CA-C-N 120.113 1.324 . . . . 0.0 114.467 167.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.69 146.65 75.76 Favored 'Trans proline' 0 C--N 1.357 1.024 0 CA-C-N 121.757 1.663 . . . . 0.0 111.857 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.63 -50.2 1.15 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.646 1.117 . . . . 0.0 111.997 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -60.15 -17.38 40.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.352 1.076 . . . . 0.0 111.688 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.1 OUTLIER -75.61 -1.03 22.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.576 1.951 . . . . 0.0 114.727 173.671 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -22.85 63.99 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.615 1.098 . . . . 0.0 112.441 159.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -102.48 -44.08 5.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.549 1.94 . . . . 0.0 111.418 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.79 -34.37 0.28 Allowed Glycine 0 N--CA 1.476 1.325 0 C-N-CA 127.175 2.321 . . . . 0.0 118.615 156.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -163.41 -18.66 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.226 2.21 . . . . 0.0 113.795 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.12 52.41 2.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.614 1.197 . . . . 0.0 114.146 -144.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.67 -18.58 0.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.174 2.59 . . . . 0.0 113.996 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -91.26 -22.55 20.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 113.541 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.25 179.63 6.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.503 1.521 . . . . 0.0 111.456 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t 59.76 -64.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.006 2.122 . . . . 0.0 109.745 -156.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -48.61 -40.39 27.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.409 2.284 . . . . 0.0 113.011 169.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.41 -15.06 26.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' HD21 ' A' ' 61' ' ' LEU . 4.0 mm? -77.53 1.43 19.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.187 0.595 . . . . 0.0 111.059 162.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -111.95 -63.49 1.41 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.911 2.884 . . . . 0.0 109.807 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -26.34 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 0.0 115.861 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.5 -38.17 74.28 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.364 0.665 . . . . 0.0 111.939 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -95.8 -38.19 10.42 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.893 1.677 . . . . 0.0 113.145 -172.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -23.1 -36.34 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 1 C-N-CA 132.272 4.229 . . . . 0.0 115.848 162.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.45 -25.46 36.57 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.869 2.067 . . . . 0.0 114.989 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.63 -9.99 54.84 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.899 1.68 . . . . 0.0 111.817 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.14 -70.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-N 120.296 1.407 . . . . 0.0 114.891 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -154.51 -59.15 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -171.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 143.41 -50.8 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.473 3.509 . . . . 0.0 107.4 -155.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.28 90.15 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.468 -0.77 . . . . 0.0 110.317 156.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.36 114.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.908 2.483 . . . . 0.0 112.83 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.27 174.24 10.9 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 127.338 2.255 . . . . 0.0 113.41 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -63.32 -36.78 84.82 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.519 -1.363 . . . . 0.0 113.3 -167.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 -46.65 72.4 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.524 0.73 . . . . 0.0 110.929 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.33 -49.71 73.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.375 1.07 . . . . 0.0 109.738 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -55.53 -67.95 0.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.202 1.001 . . . . 0.0 111.67 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -55.78 -40.45 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 119.714 1.143 . . . . 0.0 113.222 -169.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -57.76 -47.42 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 0.0 111.307 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.5 -16.39 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.406 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.9 t -51.96 -49.2 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 120.036 1.289 . . . . 0.0 108.718 160.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.5 -7.38 19.4 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.26 -33.75 17.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.584 1.084 . . . . 0.0 111.605 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -58.61 -45.92 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.487 1.494 . . . . 0.0 111.544 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -56.92 -17.93 11.44 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 m -102.98 -28.58 11.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.679 1.992 . . . . 0.0 111.83 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 O-C-N 119.98 -1.7 . . . . 0.0 111.934 166.362 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.032 -0.509 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 76.4 p -144.3 -92.94 0.11 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.218 1.407 . . . . 0.0 110.394 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -143.52 -56.04 0.39 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 128.398 2.679 . . . . 0.0 107.347 171.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.41 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 4.9 tt -49.01 -55.92 10.52 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.299 1.839 . . . . 0.0 111.516 157.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -74.69 -17.89 60.6 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.454 -0.779 . . . . 0.0 112.938 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.52 70.51 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.333 1.424 . . . . 0.0 110.839 171.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.18 95.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.073 0.949 . . . . 0.0 110.773 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.406 ' SD ' HG12 ' A' ' 78' ' ' VAL . 75.1 mtm -62.0 -34.63 76.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 171.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.99 9.71 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-O 119.165 -0.797 . . . . 0.0 113.327 163.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mtp -80.83 -37.38 30.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.105 1.452 . . . . 0.0 113.006 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.31 -33.8 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 120.75 1.614 . . . . 0.0 111.984 171.28 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mm -58.18 -33.6 47.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.785 0.834 . . . . 0.0 110.321 161.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.21 -36.99 64.01 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.385 -1.447 . . . . 0.0 114.58 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.64 -26.26 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.31 1.868 . . . . 0.0 110.642 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' B' ' 28' ' ' LEU . 8.7 t80 -66.13 -43.48 86.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.288 -0.882 . . . . 0.0 113.097 162.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -52.15 -29.53 22.46 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.464 1.506 . . . . 0.0 113.85 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -54.41 -23.82 17.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.725 1.61 . . . . 0.0 113.667 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -127.84 -70.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.084 1.353 . . . . 0.0 110.173 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . 0.273 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.307 32.9 p . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 119.152 -0.452 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' B' ' 15' ' ' PHE . 5.3 mp -64.15 86.36 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.296 1.046 . . . . 0.0 109.142 153.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -66.53 154.02 41.45 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.093 -1.004 . . . . 0.0 109.208 150.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -51.89 -34.07 39.62 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 112.851 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -22.82 70.16 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.735 1.16 . . . . 0.0 114.795 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.31 -48.3 9.19 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.183 1.393 . . . . 0.0 109.707 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tt -47.25 -48.53 24.5 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 127.927 2.491 . . . . 0.0 113.85 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.58 -42.9 16.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -171.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.22 -25.03 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.511 1.124 . . . . 0.0 111.835 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -75.74 -38.85 58.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.103 1.361 . . . . 0.0 111.682 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmt -60.48 -33.37 72.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.233 1.013 . . . . 0.0 112.75 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.95 -30.41 24.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.128 1.771 . . . . 0.0 112.609 171.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -101.22 -43.39 6.0 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.409 1.884 . . . . 0.0 110.256 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -87.6 -35.33 18.14 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER -151.12 65.34 6.67 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.37 127.6 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.302 3.335 . . . . 0.0 113.725 153.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.78 -56.95 0.69 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.839 1.209 . . . . 0.0 111.186 -171.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -59.08 -23.75 62.32 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.121 0.96 . . . . 0.0 112.018 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.27 -9.67 34.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.507 2.323 . . . . 0.0 113.685 173.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -65.75 -27.93 68.67 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.748 1.158 . . . . 0.0 112.173 164.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -92.78 -49.87 5.85 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 110.557 164.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.59 -7.25 0.09 OUTLIER Glycine 0 CA--C 1.543 1.797 0 N-CA-C 118.402 2.121 . . . . 0.0 118.402 170.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.382 0.0 OUTLIER 118.93 105.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 134.241 5.017 . . . . 0.0 111.978 168.167 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.12 -1.68 7.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.109 2.164 . . . . 0.0 111.652 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 133.98 -29.35 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 1 C-N-CA 132.541 4.337 . . . . 0.0 111.185 -146.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.07 176.06 5.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.54 -67.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 1 C-N-CA 131.863 4.065 . . . . 0.0 116.553 163.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -53.17 -39.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.85 0.86 . . . . 0.0 108.886 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.58 -29.33 70.35 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 171.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -88.64 -45.77 9.58 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.267 1.394 . . . . 0.0 111.509 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.454 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.0 mm? -53.02 -12.75 0.36 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.145 1.778 . . . . 0.0 112.792 160.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -90.53 -68.84 0.76 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.223 1.009 . . . . 0.0 111.57 156.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.423 ' HE2' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -52.05 -31.06 28.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.033 2.533 . . . . 0.0 115.474 -164.448 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.29 -50.02 50.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.691 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -83.05 -34.67 26.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.819 1.648 . . . . 0.0 113.541 -175.429 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HE2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -33.27 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 130.594 3.558 . . . . 0.0 114.846 167.591 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.56 65.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.564 1.946 . . . . 0.0 114.775 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -13.99 46.84 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.142 1.377 . . . . 0.0 111.272 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.26 -94.31 0.74 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.026 1.298 . . . . 0.0 112.193 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -150.51 -39.79 0.13 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.768 1.227 . . . . 0.0 112.673 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 173.22 -42.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 131.511 3.925 . . . . 0.0 109.147 -172.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.92 100.01 1.88 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.936 1.294 . . . . 0.0 109.986 171.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -75.29 108.91 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.149 2.179 . . . . 0.0 113.739 -171.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.25 171.62 14.22 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.789 2.036 . . . . 0.0 113.382 165.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -59.01 -35.54 73.44 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.01 1.324 . . . . 0.0 113.531 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -60.13 -53.69 54.77 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.319 0.963 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.47 -50.96 70.21 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.635 1.574 . . . . 0.0 109.615 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -55.57 -64.77 0.74 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.327 1.051 . . . . 0.0 112.164 175.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -58.54 -40.27 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 119.206 0.912 . . . . 0.0 112.367 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.48 -49.59 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.371 1.068 . . . . 0.0 111.298 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -85.01 -18.34 34.72 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -50.7 -47.51 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 119.951 1.25 . . . . 0.0 109.306 163.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -12.78 54.65 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.68 -36.83 21.63 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.797 1.18 . . . . 0.0 111.454 163.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -56.73 -44.67 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.278 1.431 . . . . 0.0 111.309 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -62.16 5.87 0.09 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.5 p -117.57 -39.55 3.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.144 1.778 . . . . 0.0 112.087 161.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 126.124 1.77 . . . . 0.0 114.16 -174.113 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 119.921 -0.085 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -154.32 -175.12 5.25 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.446 3.099 . . . . 0.0 108.668 -169.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.3 -46.37 79.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.94 1.7 . . . . 0.0 112.593 172.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -46.1 55.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.904 0.881 . . . . 0.0 111.325 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.28 -16.19 61.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.777 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.88 -28.87 27.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.422 1.464 . . . . 0.0 112.283 171.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.7 96.03 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.159 0.891 . . . . 0.0 109.932 164.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' ILE . 49.9 mtm -63.02 -34.39 77.46 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.032 -1.042 . . . . 0.0 113.786 163.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.17 -47.33 5.42 Favored Glycine 0 C--O 1.213 -1.177 0 CA-C-O 116.585 -2.231 . . . . 0.0 111.228 161.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.3 mtp -70.08 -26.54 64.04 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.608 2.204 . . . . 0.0 114.868 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' MET . 12.2 mt -78.05 -47.86 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 120.891 -1.131 . . . . 0.0 109.666 174.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mm -54.09 -28.14 17.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.858 1.663 . . . . 0.0 110.319 162.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.9 -40.72 31.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.507 1.523 . . . . 0.0 111.745 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -37.8 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 122.107 2.23 . . . . 0.0 110.423 165.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.59 -14.1 61.54 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.696 1.198 . . . . 0.0 113.168 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -100.45 -8.16 23.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.483 1.913 . . . . 0.0 112.879 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -77.06 -64.04 1.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.746 2.018 . . . . 0.0 109.551 161.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -88.48 -67.1 0.85 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.089 0.956 . . . . 0.0 112.168 -160.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.51 -8.24 1.17 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 158.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.94 -4.11 8.53 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.466 1.508 . . . . 0.0 115.999 167.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.471 0.603 1 C-N-CA 133.736 4.814 . . . . 0.0 105.92 -170.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 119.922 3.305 . . . . 0.0 119.922 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.29 67.6 2.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.585 1.154 . . . . 0.0 110.067 167.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.496 ' HB ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -51.86 146.9 7.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 145.175 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -35.09 -40.3 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.97 2.508 . . . . 0.0 113.544 171.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 -27.25 55.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.635 1.112 . . . . 0.0 115.546 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.94 -55.26 5.62 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.123 1.461 . . . . 0.0 108.711 168.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 54' ' ' VAL . 5.5 tt -41.62 -42.15 2.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 129.272 3.029 . . . . 0.0 113.664 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -59.13 -35.48 73.54 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.84 -14.91 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.684 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -81.69 -24.44 36.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.639 2.376 . . . . 0.0 112.042 166.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mmm -79.13 -52.72 7.81 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.919 -1.113 . . . . 0.0 112.945 -164.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.33 3.13 0.2 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.306 2.242 . . . . 0.0 113.996 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -142.73 -52.02 0.38 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 128.81 2.844 . . . . 0.0 109.169 -146.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -123.52 -0.33 8.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.8 28.38 0.16 Allowed Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 167.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -34.18 -14.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.36 2 C-N-CA 127.523 5.482 . . . . 0.0 123.05 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.41 52.38 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 121.472 1.942 . . . . 0.0 115.195 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CD2' HD21 ' A' ' 57' ' ' LEU . 92.2 m-85 -87.91 -5.85 58.35 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.055 1.427 . . . . 0.0 111.769 169.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.1 3.67 29.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.649 2.379 . . . . 0.0 111.478 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.4 -26.29 67.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.43 2.292 . . . . 0.0 111.603 165.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -89.55 -30.28 18.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.801 0.84 . . . . 0.0 112.038 158.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.06 4.33 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 125.984 1.754 . . . . 0.0 113.532 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -162.51 -75.54 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.284 2.233 . . . . 0.0 108.998 149.619 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 30.0 t70 15.09 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.7 3.2 . . . . 0.0 113.983 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 -10.91 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -172.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.26 2.28 26.64 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.48 2.312 . . . . 0.0 112.657 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.9 -168.42 3.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.006 1.722 . . . . 0.0 109.193 143.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG13 HD22 ' A' ' 33' ' ' LEU . 83.0 t 62.99 -63.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.02 2.128 . . . . 0.0 109.824 -162.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.28 -34.92 11.17 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.186 2.194 . . . . 0.0 112.618 164.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -94.74 -11.15 29.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.7 mm? -90.81 5.8 46.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.023 0.929 . . . . 0.0 110.672 163.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -108.35 -70.25 0.81 Allowed 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.128 2.971 . . . . 0.0 107.398 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -34.44 4.05 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.799 2.44 . . . . 0.0 115.956 -172.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -49.94 74.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.477 1.511 . . . . 0.0 112.319 173.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.12 -34.91 13.46 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.437 1.895 . . . . 0.0 113.391 -171.743 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.36 -24.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 1 C-N-CA 133.074 4.549 . . . . 0.0 115.644 166.542 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.31 70.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.247 1.819 . . . . 0.0 115.054 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -18.45 48.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.189 0.996 . . . . 0.0 111.346 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.38 -88.87 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 125.395 1.474 . . . . 0.0 112.252 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -154.46 -40.39 0.09 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 168.83 -36.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 131.161 3.784 . . . . 0.0 109.524 -173.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 26.9 mt-30 -75.95 76.68 2.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.128 0.971 . . . . 0.0 110.993 170.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -45.98 103.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 128.035 2.534 . . . . 0.0 112.364 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.63 167.09 17.66 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.952 2.501 . . . . 0.0 112.582 163.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -56.89 -36.74 70.47 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.023 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -49.54 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.526 1.13 . . . . 0.0 111.131 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.38 -47.48 85.61 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.371 0.668 . . . . 0.0 109.362 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 78' ' ' VAL . 42.0 t80 -59.77 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.643 1.177 . . . . 0.0 112.455 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.541 HG12 HG21 ' B' ' 82' ' ' THR . 11.2 tp -51.32 -43.42 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -175.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.01 -50.25 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.979 1.312 . . . . 0.0 111.154 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -81.01 -18.75 45.75 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.608 HG12 ' SD ' ' B' ' 8' ' ' MET . 92.0 t -58.52 -47.35 88.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 119.732 1.151 . . . . 0.0 107.996 164.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.95 1.32 0.94 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 168.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.81 -39.96 9.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.872 1.214 . . . . 0.0 111.308 156.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -54.72 -36.34 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.732 2.413 . . . . 0.0 111.952 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.1 t -43.3 -53.8 5.0 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.234 1.379 . . . . 0.0 111.444 169.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 m -74.37 -57.07 4.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 0.0 111.246 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -170.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.9 p -146.16 -179.79 6.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.005 2.122 . . . . 0.0 110.245 -169.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -53.66 -51.77 62.09 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 121.486 1.948 . . . . 0.0 112.156 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.88 -38.24 64.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.24 -37.71 57.3 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.216 -0.927 . . . . 0.0 112.945 -177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.88 77.88 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.971 0.909 . . . . 0.0 110.161 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.42 64.9 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.178 0.591 . . . . 0.0 110.969 164.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HG12 ' A' ' 78' ' ' VAL . 6.7 mtm -63.09 -37.0 85.47 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.71 -52.53 6.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 160.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mtt -61.52 -49.02 78.39 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 115.123 -2.37 . . . . 0.0 113.908 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -68.82 -34.51 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 124.849 3.477 . . . . 0.0 113.398 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mm -56.71 -44.31 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.313 0.96 . . . . 0.0 109.303 164.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 15.1 t70 -82.04 -3.18 54.0 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.67 -21.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 126.193 1.797 . . . . 0.0 109.782 165.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' B' ' 28' ' ' LEU . 62.4 t80 -84.91 -43.15 14.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.404 1.081 . . . . 0.0 112.158 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 17.0 t -29.64 -55.91 0.16 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 129.752 3.221 . . . . 0.0 114.12 168.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.408 ' HG3' ' H ' ' B' ' 17' ' ' ARG . 19.8 mtp180 -33.62 -46.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.656 1 C-N-CA 132.001 4.121 . . . . 0.0 114.541 171.098 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -107.78 -54.76 2.45 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.535 1.134 . . . . 0.0 109.624 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 178.873 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 119.852 3.279 . . . . 0.0 119.852 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' B' ' 15' ' ' PHE . 9.9 mp -67.77 77.81 0.2 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 122.78 1.276 . . . . 0.0 107.968 156.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -55.25 144.47 24.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 139.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -45.85 -28.45 1.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.186 2.594 . . . . 0.0 113.834 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.36 -25.71 46.52 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.51 1.052 . . . . 0.0 115.008 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.24 -50.92 10.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.096 1.448 . . . . 0.0 109.602 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' B' ' 54' ' ' VAL . 10.6 tt -43.6 -35.8 1.88 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 128.005 2.522 . . . . 0.0 114.504 -174.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -66.26 -41.26 90.17 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.46 -37.26 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.202 0.91 . . . . 0.0 110.295 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.481 HD22 HD21 ' B' ' 28' ' ' LEU . 6.0 tp -51.25 -28.33 11.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.763 2.025 . . . . 0.0 112.06 165.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.48 ' HB3' HD21 ' B' ' 45' ' ' LEU . 0.3 OUTLIER -88.39 -22.9 23.52 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.842 -1.786 . . . . 0.0 113.955 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.29 -10.57 52.13 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 112.41 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 -52.87 1.02 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.787 2.435 . . . . 0.0 109.515 -149.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -106.32 -16.49 14.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.424 1.889 . . . . 0.0 112.637 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.68 44.27 1.28 Allowed Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.77 144.24 35.48 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 121.965 1.738 . . . . 0.0 113.806 170.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.03 -21.28 28.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.247 1.403 . . . . 0.0 114.486 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.27 -15.08 60.54 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.764 1.226 . . . . 0.0 110.103 163.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' B' ' 37' ' ' MET . 0.2 OUTLIER -80.78 -1.31 42.43 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.106 2.563 . . . . 0.0 114.168 177.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -27.25 65.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.985 0.514 . . . . 0.0 111.384 160.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 1.3 m -99.64 -53.9 3.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.249 1.419 . . . . 0.0 111.625 165.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.81 6.17 6.26 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 117.842 1.897 . . . . 0.0 117.842 168.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.439 0.0 OUTLIER 111.05 92.52 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 1 C-N-CA 133.937 4.895 . . . . 0.0 110.854 -179.074 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -136.7 12.11 3.17 Favored 'General case' 0 CA--C 1.548 0.88 1 C-N-CA 132.402 4.281 . . . . 0.0 109.245 -177.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 69.14 0.37 2.79 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.164 2.585 . . . . 0.0 114.045 -166.472 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -115.13 -8.22 12.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.71 1.604 . . . . 0.0 114.267 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -140.86 -176.93 4.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.346 1.458 . . . . 0.0 112.003 154.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' B' ' 33' ' ' LEU . 54.1 t 59.2 -62.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 127.313 2.245 . . . . 0.0 109.529 -155.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.1 -27.19 13.19 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 113.501 167.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -102.82 -3.0 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.535 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.3 mm? -93.57 -0.99 56.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.654 0.782 . . . . 0.0 109.478 159.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.08 -78.31 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.818 2.847 . . . . 0.0 108.219 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -41.44 -42.89 2.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.865 3.266 . . . . 0.0 115.537 -169.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' B' ' 77' ' ' PHE . 0.8 OUTLIER -45.85 -55.82 6.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.698 1.999 . . . . 0.0 112.874 169.578 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.564 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.75 -38.61 10.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.161 2.185 . . . . 0.0 112.98 -173.083 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -37.28 -22.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 131.392 3.877 . . . . 0.0 114.749 162.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.25 -32.48 0.18 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.545 1.538 . . . . 0.0 114.829 158.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -97.5 -12.79 22.21 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.263 1.425 . . . . 0.0 113.402 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.81 20.61 1.0 Allowed Glycine 0 CA--C 1.539 1.566 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -164.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 69.93 -40.47 0.46 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 129.961 3.304 . . . . 0.0 116.199 169.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 167.21 6.2 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 130.794 3.638 . . . . 0.0 113.405 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -128.56 90.47 3.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.858 1.263 . . . . 0.0 109.725 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.64 129.67 35.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 125.9 1.68 . . . . 0.0 112.821 -170.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.95 169.95 10.04 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.722 2.809 . . . . 0.0 112.556 170.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -64.8 -27.42 68.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.36 1.064 . . . . 0.0 113.556 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 65.2 p -62.58 -61.96 2.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.362 0.983 . . . . 0.0 110.647 170.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.07 -50.98 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.661 1.985 . . . . 0.0 110.911 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.405 ' CG ' ' CD1' ' B' ' 15' ' ' PHE . 38.7 t80 -58.45 -61.35 2.65 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 116.832 -1.556 . . . . 0.0 111.756 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.86 -35.53 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 121.718 2.054 . . . . 0.0 113.198 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -57.32 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.22 1.008 . . . . 0.0 110.308 171.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' B' ' 60' ' ' ASP . 14.4 m-85 -80.36 -16.47 54.46 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.79 -48.53 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 125.219 1.408 . . . . 0.0 108.541 158.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.2 2.58 4.46 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.95 -38.14 9.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 111.491 156.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -40.18 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.711 2.404 . . . . 0.0 110.563 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.541 HG21 HG12 ' A' ' 75' ' ' ILE . 10.2 t -48.75 -43.88 38.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 166.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 39.5 p -71.95 -38.25 69.82 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.506 -0.746 . . . . 0.0 111.159 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 175.477 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p -156.78 -174.16 4.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.063 2.945 . . . . 0.0 108.756 -162.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -56.61 -51.71 67.62 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 122.15 2.25 . . . . 0.0 111.497 168.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.464 HD13 HG11 ' B' ' 14' ' ' VAL . 5.4 tp -54.36 -56.78 15.1 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.395 1.878 . . . . 0.0 110.889 174.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.17 -23.99 51.52 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.3 -39.47 65.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.375 1.443 . . . . 0.0 111.029 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.0 88.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.653 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtm -64.81 -29.66 70.63 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.04 -33.06 20.94 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 117.764 -1.576 . . . . 0.0 112.815 161.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.7 mtt -75.68 -39.08 58.11 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.131 1.965 . . . . 0.0 112.823 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.256 0.0 OUTLIER -82.48 -29.97 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.745 1.157 . . . . 0.0 113.726 177.368 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.66 -31.5 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 117.161 -1.4 . . . . 0.0 110.894 162.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.58 -58.16 9.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 121.554 1.979 . . . . 0.0 110.307 165.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -45.42 -41.58 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.974 1.261 . . . . 0.0 111.914 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 28' ' ' LEU . 41.6 t80 -67.02 -54.89 17.36 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 168.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -59.28 0.47 0.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.977 2.511 . . . . 0.0 114.555 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -114.66 -43.71 3.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 131.583 3.953 . . . . 0.0 111.051 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.28 -42.41 10.4 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 p -64.68 -30.91 71.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.03 -1.044 . . . . 0.0 111.205 157.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.97 0.75 76.9 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-O 117.907 -1.496 . . . . 0.0 114.799 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.491 1.58 1 C-N-CA 132.002 4.121 . . . . 0.0 112.213 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 117.361 2.356 . . . . 0.0 117.361 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' A' ' 15' ' ' PHE . 6.1 mp -71.43 73.59 0.73 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 166.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.2 147.07 8.12 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 144.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -35.53 -37.3 0.09 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.536 2.735 . . . . 0.0 113.675 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.57 -27.04 48.93 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.541 1.067 . . . . 0.0 115.517 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.8 -52.49 8.27 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.325 1.45 . . . . 0.0 109.265 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tt -44.64 -35.13 2.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.094 2.958 . . . . 0.0 114.347 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -66.14 -41.85 89.89 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -47.88 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 119.933 1.242 . . . . 0.0 109.977 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.37 -30.32 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 113.815 161.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.538 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -92.07 -18.32 23.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 120.22 1.373 . . . . 0.0 113.921 -176.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.42 -31.73 72.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.09 1.314 . . . . 0.0 110.084 165.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.76 -64.11 1.19 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 129.697 3.199 . . . . 0.0 112.802 -170.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.74 -11.19 14.0 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.79 1.636 . . . . 0.0 112.069 -164.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.22 36.14 0.3 Allowed Pre-proline 0 CA--C 1.561 1.368 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 166.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.91 145.53 73.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 CA-C-N 122.544 1.944 . . . . 0.0 112.409 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.55 -37.64 3.36 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.661 1.124 . . . . 0.0 112.686 -170.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.57 -21.64 64.48 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.124 1.462 . . . . 0.0 111.287 168.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.9 OUTLIER -78.09 1.21 21.84 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.241 2.216 . . . . 0.0 114.868 177.57 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -58.85 -29.46 66.97 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.172 0.897 . . . . 0.0 111.258 157.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -93.38 -65.73 0.97 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.699 1.199 . . . . 0.0 109.321 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.27 -13.63 19.96 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 162.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.599 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.271 0.0 OUTLIER -177.14 -84.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.04 2.136 . . . . 0.0 109.938 169.778 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.599 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 2.8 p30 50.11 2.88 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 128.585 2.754 . . . . 0.0 117.89 166.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.351 0.0 OUTLIER 72.54 -8.42 1.22 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.804 3.242 . . . . 0.0 114.446 -170.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -124.55 14.95 8.83 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.206 1.366 . . . . 0.0 114.315 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.25 173.93 11.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.358 1.063 . . . . 0.0 110.671 153.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t 61.28 -64.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.597 1.559 . . . . 0.0 110.447 -164.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -39.31 -37.48 0.44 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 129.194 2.997 . . . . 0.0 113.691 158.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -98.91 -8.7 25.2 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.1 mm? -87.17 3.89 44.62 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.728 0.811 . . . . 0.0 110.012 162.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -111.55 -66.56 1.07 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 130.343 3.457 . . . . 0.0 108.7 172.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -32.68 21.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.026 2.131 . . . . 0.0 115.305 -171.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -50.81 72.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.67 1.988 . . . . 0.0 111.426 172.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.49 -37.46 13.14 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.268 1.827 . . . . 0.0 113.322 -170.673 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -27.57 -35.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 1 C-N-CA 131.745 4.018 . . . . 0.0 115.004 168.048 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.85 34.16 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.856 1.662 . . . . 0.0 115.114 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -6.31 59.12 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.038 1.735 . . . . 0.0 111.285 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.96 -86.62 0.13 Allowed Glycine 0 C--N 1.342 0.888 0 CA-C-N 119.938 1.245 . . . . 0.0 112.514 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -154.7 -42.63 0.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.536 1.134 . . . . 0.0 113.204 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 162.47 -30.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 130.95 3.7 . . . . 0.0 111.167 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.03 93.74 9.44 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 120.926 -1.109 . . . . 0.0 109.612 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 111.57 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.425 1.89 . . . . 0.0 113.492 -170.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.03 168.61 16.71 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 128.919 2.888 . . . . 0.0 113.284 165.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -60.05 -34.95 74.1 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -65.87 -55.16 18.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.395 1.078 . . . . 0.0 110.654 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.14 -49.86 62.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.827 1.251 . . . . 0.0 110.344 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 78' ' ' VAL . 34.8 t80 -57.19 -68.38 0.23 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.87 175.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -53.74 -42.84 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 121.129 1.786 . . . . 0.0 113.2 -172.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -54.73 -52.74 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.321 1.048 . . . . 0.0 110.508 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.58 -13.5 56.44 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG12 ' SD ' ' B' ' 8' ' ' MET . 69.1 t -58.68 -50.56 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 121.219 1.827 . . . . 0.0 107.293 165.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -11.76 8.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.89 -43.19 13.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.565 1.075 . . . . 0.0 111.646 161.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.401 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 1.1 mm -50.42 -45.34 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 129.329 3.051 . . . . 0.0 112.071 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 t -46.06 -51.53 13.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.748 0.703 . . . . 0.0 112.039 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -70.74 -51.85 24.64 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.258 1.423 . . . . 0.0 112.022 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 81' ' ' ILE . . . . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 126.78 2.032 . . . . 0.0 114.341 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.179 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -140.7 -106.14 0.15 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.822 1.249 . . . . 0.0 110.573 -164.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -127.17 -50.25 1.43 Allowed 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 107.281 158.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -50.14 -55.34 15.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.126 1.37 . . . . 0.0 112.262 164.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 60.2 mt-10 -72.43 -29.96 64.18 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.46 -0.775 . . . . 0.0 112.198 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -38.83 66.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.064 0.847 . . . . 0.0 111.668 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -44.68 76.9 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 124.618 1.167 . . . . 0.0 110.139 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.434 ' SD ' HG12 ' A' ' 78' ' ' VAL . 60.8 mtm -63.06 -31.8 73.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 173.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.68 -53.73 3.59 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-O 118.096 -1.391 . . . . 0.0 110.956 157.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mtt -66.14 -39.5 89.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 115.147 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -73.57 -29.51 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.459 1.481 . . . . 0.0 111.963 174.178 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.27 -24.24 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 118.673 0.67 . . . . 0.0 110.911 163.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -79.53 -34.2 41.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.971 1.709 . . . . 0.0 112.376 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 4' ' ' LEU . 50.7 t -59.72 -27.56 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.702 -1.249 . . . . 0.0 111.069 160.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -85.07 -7.27 59.18 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.052 -1.03 . . . . 0.0 113.351 167.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.7 t -101.82 -3.45 27.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.59 1.556 . . . . 0.0 112.975 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.23 -75.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.84 2.456 . . . . 0.0 109.244 164.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -80.47 -71.0 0.48 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 126.402 1.881 . . . . 0.0 110.442 -170.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 126.634 1.974 . . . . 0.0 115.4 161.326 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 119.25 3.055 . . . . 0.0 119.25 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.05 73.1 0.19 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.054 1.342 . . . . 0.0 110.1 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.409 HG23 ' H ' ' B' ' 32' ' ' GLU . 10.0 t -50.64 149.42 3.28 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 139.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -55.15 -28.14 50.66 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.511 1.524 . . . . 0.0 114.014 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.42 -28.12 53.28 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.716 -1.047 . . . . 0.0 114.458 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.409 ' H ' HG23 ' B' ' 29' ' ' THR . 36.7 tp10 -78.46 -48.57 15.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.578 1.551 . . . . 0.0 109.184 171.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG13 ' B' ' 54' ' ' VAL . 9.1 tt -41.34 -46.36 3.27 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 127.838 2.455 . . . . 0.0 113.578 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -66.24 -34.62 78.43 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.76 -22.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.857 0.863 . . . . 0.0 111.952 -169.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.6 -32.31 64.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 130.847 3.659 . . . . 0.0 112.139 166.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.44 ' HB2' HD21 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -82.74 -22.68 34.31 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.26 -1.525 . . . . 0.0 113.243 -168.504 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.44 -27.56 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.701 1.137 . . . . 0.0 111.735 167.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -108.21 -54.59 2.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.128 2.171 . . . . 0.0 110.301 -159.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -113.65 -6.95 13.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.278 1.831 . . . . 0.0 112.471 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -136.1 40.65 0.52 Allowed Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -53.78 141.24 66.02 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.061 1.841 . . . . 0.0 114.131 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.79 -34.82 5.39 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.913 1.721 . . . . 0.0 113.436 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -60.39 -17.96 47.32 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.118 0.959 . . . . 0.0 112.104 162.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' B' ' 37' ' ' MET . 0.3 OUTLIER -94.83 16.53 15.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 127.53 2.332 . . . . 0.0 114.373 -177.439 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -32.83 -30.59 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.694 2.398 . . . . 0.0 115.961 156.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 52.0 m -127.69 1.87 6.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.61 1.964 . . . . 0.0 112.991 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 -55.16 0.08 OUTLIER Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.551 1.072 . . . . 0.0 112.296 -153.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' HB3' ' B' ' 53' ' ' ALA . 5.9 mttt 74.64 138.3 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 130.548 3.539 . . . . 0.0 114.648 167.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -155.64 6.64 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.701 2.0 . . . . 0.0 112.437 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -137.16 -62.65 0.62 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.785 1.634 . . . . 0.0 111.289 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -106.86 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.413 1.885 . . . . 0.0 109.775 173.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . . . -72.87 -171.02 0.79 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.386 1.448 . . . . 0.0 111.691 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.612 HG13 HD22 ' B' ' 33' ' ' LEU . 21.0 t 59.66 -61.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.04 1.736 . . . . 0.0 109.629 -149.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -54.53 -30.33 53.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.087 1.355 . . . . 0.0 112.676 165.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -95.42 -6.17 41.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.374 1.443 . . . . 0.0 114.336 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.463 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.3 mm? -86.09 -1.78 57.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.536 -0.727 . . . . 0.0 109.461 159.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.36 -75.22 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.649 2.38 . . . . 0.0 108.712 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -39.68 5.53 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.435 3.094 . . . . 0.0 115.348 -169.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -48.03 80.53 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.507 1.523 . . . . 0.0 112.231 174.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -91.02 -44.37 9.36 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.313 1.845 . . . . 0.0 112.456 -174.165 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -27.34 -35.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.987 1 C-N-CA 132.306 4.243 . . . . 0.0 115.166 165.055 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.75 34.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 0.0 115.506 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -12.13 49.32 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.295 1.438 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.0 -63.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 CA-C-N 120.105 1.32 . . . . 0.0 114.958 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.59 -60.92 0.1 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -168.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.69 -44.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.778 3.631 . . . . 0.0 108.672 -154.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -65.14 84.34 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.613 -0.679 . . . . 0.0 110.744 150.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 61' ' ' LEU . 54.9 t -50.92 106.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 128.613 2.765 . . . . 0.0 111.4 173.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 176.0 7.71 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.707 1.14 . . . . 0.0 113.358 166.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -34.89 69.52 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.701 1.6 . . . . 0.0 113.567 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -68.05 -53.68 23.88 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.202 1.401 . . . . 0.0 110.508 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' B' ' 69' ' ' VAL . 11.0 mt-10 -50.14 -51.12 46.0 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.538 1.535 . . . . 0.0 110.065 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.55 -67.05 0.4 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.309 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.72 -40.31 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.172 1.351 . . . . 0.0 112.541 -170.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.78 -54.3 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.8 1.24 . . . . 0.0 111.343 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.58 -21.33 38.48 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.5 -48.63 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 124.788 1.235 . . . . 0.0 109.253 163.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -8.9 13.46 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.94 -43.8 10.32 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.141 1.337 . . . . 0.0 111.22 162.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -45.28 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.264 2.225 . . . . 0.0 110.778 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -49.8 -54.35 19.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.674 0.67 . . . . 0.0 112.623 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -79.42 -10.94 59.91 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 119.351 0.978 . . . . 0.0 109.823 163.652 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 34.6 ttm . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.2 p -158.45 -172.57 3.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.212 3.005 . . . . 0.0 108.536 -160.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.89 -65.05 0.63 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 122.201 2.273 . . . . 0.0 111.85 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.789 HD22 HG22 ' B' ' 11' ' ' ILE . 3.0 tm? -42.21 -54.14 3.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.459 2.704 . . . . 0.0 111.061 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.2 mt-10 -82.65 -26.01 32.55 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.9 -34.39 44.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.539 1.518 . . . . 0.0 111.518 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.3 77.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.449 0.568 . . . . 0.0 109.774 163.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 47.4 mtm -63.89 -30.68 71.74 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 169.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.11 -31.71 19.15 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 117.854 -1.525 . . . . 0.0 112.953 161.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 mtt -79.57 -38.76 33.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.196 1.998 . . . . 0.0 113.14 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.42 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -76.66 -30.0 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.516 1.507 . . . . 0.0 112.41 175.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -66.71 -35.48 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.069 159.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 37.3 t70 -63.66 -39.73 95.06 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 121.583 1.992 . . . . 0.0 113.042 172.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 HD13 ' B' ' 4' ' ' LEU . 53.2 t -56.7 -22.96 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 121.039 1.745 . . . . 0.0 112.115 172.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' HD13 ' A' ' 28' ' ' LEU . 32.9 t80 -81.87 -46.11 14.56 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 112.424 165.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.33 -17.62 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.739 2.015 . . . . 0.0 114.913 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.501 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.3 OUTLIER -64.55 -55.6 19.46 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.228 2.211 . . . . 0.0 110.953 162.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -101.35 -55.01 2.64 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.685 1.194 . . . . 0.0 113.366 -161.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -21.96 66.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.508 0.67 . . . . 0.0 110.928 162.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.34 38.26 Favored Glycine 0 CA--C 1.535 1.304 0 O-C-N 120.752 -1.218 . . . . 0.0 114.19 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.482 1.148 1 C-N-CA 131.96 4.104 . . . . 0.0 112.213 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 118.664 2.838 . . . . 0.0 118.664 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.9 mp -65.87 73.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.333 1.453 . . . . 0.0 110.763 164.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -54.72 152.85 6.56 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.099 0.959 . . . . 0.0 108.464 148.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -45.4 -38.01 5.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.846 2.058 . . . . 0.0 114.324 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.66 -24.46 58.39 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.374 0.988 . . . . 0.0 114.993 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.55 -42.73 16.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.694 1.247 . . . . 0.0 110.363 171.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -49.08 -45.09 42.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.977 1.711 . . . . 0.0 110.89 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CB ' ' HZ2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -70.52 -41.09 73.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 m -68.84 -17.91 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 120.029 1.286 . . . . 0.0 113.588 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.43 -39.41 62.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.541 3.137 . . . . 0.0 112.377 165.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.456 ' CB ' HD21 ' A' ' 45' ' ' LEU . 1.2 mmm -78.73 -26.6 44.72 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -164.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.56 -33.86 70.4 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 120.888 1.677 . . . . 0.0 110.764 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -89.1 -50.13 6.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.693 2.397 . . . . 0.0 110.249 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -122.53 -1.78 9.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.73 1.212 . . . . 0.0 114.061 -164.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.68 40.48 0.43 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 124.57 1.148 . . . . 0.0 113.862 164.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.73 140.57 84.64 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.0 1.8 . . . . 0.0 111.904 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.71 8.3 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.9 1.238 . . . . 0.0 113.097 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -69.33 -11.97 61.26 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.082 1.441 . . . . 0.0 111.406 163.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -92.8 13.02 21.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.205 1.802 . . . . 0.0 114.269 -177.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -53.88 -31.87 51.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.466 0.575 . . . . 0.0 111.786 161.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.12 -54.71 2.73 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.815 1.646 . . . . 0.0 111.821 166.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.58 33.3 81.36 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.471 0.558 . . . . 0.0 113.939 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 -158.46 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -152.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.18 -32.17 1.08 Allowed 'General case' 0 CA--C 1.558 1.276 1 C-N-CA 132.681 4.392 . . . . 0.0 109.688 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -108.79 -9.2 15.22 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.45 -176.03 5.23 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.913 1.685 . . . . 0.0 111.643 173.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 47.56 -69.2 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 129.852 3.261 . . . . 0.0 116.819 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.97 -46.8 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.526 1.13 . . . . 0.0 109.908 160.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.84 -27.52 64.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.49 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -90.55 -15.6 30.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.725 1.148 . . . . 0.0 112.973 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.95 -73.08 0.1 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 143.621 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.09 -64.3 0.47 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.394 1.078 . . . . 0.0 112.56 -169.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.7 42.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.279 2.231 . . . . 0.0 115.649 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -48.35 11.37 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 124.587 1.179 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD12 HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -72.36 -41.2 66.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.698 0.799 . . . . 0.0 111.535 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.6 -39.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.976 3.71 . . . . 0.0 114.905 169.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.9 45.49 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.06 -10.68 46.53 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.51 -70.04 0.01 OUTLIER Glycine 0 N--CA 1.47 0.96 0 CA-C-N 121.078 1.763 . . . . 0.0 115.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -147.76 -64.06 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.24 -51.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.268 3.427 . . . . 0.0 107.959 -155.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -67.68 97.25 0.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.565 0.746 . . . . 0.0 109.77 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 61' ' ' LEU . 4.9 t -72.06 114.47 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.77 2.028 . . . . 0.0 112.85 -171.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.51 168.46 10.91 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.778 2.831 . . . . 0.0 113.633 164.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -62.94 -32.75 74.12 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.767 -1.208 . . . . 0.0 112.41 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.9 p -63.95 -54.41 34.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.103 0.865 . . . . 0.0 110.513 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HB2' HG13 ' A' ' 69' ' ' VAL . 26.3 mt-10 -48.29 -53.06 18.61 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 126.117 1.767 . . . . 0.0 110.399 173.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.55 -64.83 0.8 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.093 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' B' ' 82' ' ' THR . 8.4 tp -56.25 -37.69 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.169 1.349 . . . . 0.0 112.989 -170.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.3 -50.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.481 1.112 . . . . 0.0 111.194 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.406 ' CB ' HD22 ' A' ' 61' ' ' LEU . 8.7 m-85 -79.54 -22.34 43.99 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' SD ' ' B' ' 8' ' ' MET . 39.7 t -55.72 -47.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.317 1.047 . . . . 0.0 108.809 165.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 82' ' ' THR . . . -62.33 -9.69 8.88 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 168.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.91 -36.97 13.84 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.323 1.419 . . . . 0.0 111.897 163.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mm -57.44 -43.52 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.908 1.683 . . . . 0.0 110.443 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 HG12 ' B' ' 75' ' ' ILE . 10.1 t -60.97 -21.26 63.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 117.188 -1.387 . . . . 0.0 114.499 170.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 p -74.47 -37.86 63.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 121.288 1.858 . . . . 0.0 110.674 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.589 0 C-N-CA 124.623 1.169 . . . . 0.0 112.798 174.36 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.26 173.27 8.87 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.747 1.619 . . . . 0.0 110.36 173.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.501 ' CD ' HH22 ' A' ' 17' ' ' ARG . 31.4 tt0 -67.09 -39.2 86.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.652 2.024 . . . . 0.0 111.89 172.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 14' ' ' VAL . 1.8 tp -48.51 -61.42 2.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.776 1.274 . . . . 0.0 110.646 171.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.96 -35.01 76.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.713 1.605 . . . . 0.0 112.546 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.95 -36.04 49.67 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.957 -1.089 . . . . 0.0 112.903 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.19 96.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.262 0.937 . . . . 0.0 109.544 168.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.458 ' SD ' HG12 ' A' ' 78' ' ' VAL . 69.0 mtm -60.48 -37.91 82.56 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 167.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.5 -9.31 3.31 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 117.515 -1.714 . . . . 0.0 115.64 163.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.0 mtt -95.86 -43.78 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.279 2.039 . . . . 0.0 112.002 167.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.789 HG22 HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -71.42 -42.24 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.256 1.844 . . . . 0.0 112.685 175.385 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -52.77 -25.7 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.132 0.878 . . . . 0.0 110.677 163.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.53 -11.28 43.29 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 116.285 1.958 . . . . 0.0 116.285 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' B' ' 36' ' ' LEU . 58.6 t -65.95 -40.86 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 108.94 155.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.59 -26.93 67.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 166.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -75.27 -6.33 49.25 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.65 -59.19 2.88 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 121.664 2.029 . . . . 0.0 110.124 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.59 -69.61 0.73 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.112 1.765 . . . . 0.0 110.385 -165.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 128.238 2.615 . . . . 0.0 113.534 162.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 119.223 3.045 . . . . 0.0 119.223 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.21 82.36 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.334 1.053 . . . . 0.0 111.157 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -61.63 154.69 24.41 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 122.053 0.93 . . . . 0.0 109.304 147.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' B' ' 50' ' ' ASP . 51.9 tttt -59.59 -23.76 63.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.401 1.88 . . . . 0.0 114.54 -172.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.8 -36.24 19.71 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.175 0.893 . . . . 0.0 113.568 173.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.55 -49.48 53.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.75 1.22 . . . . 0.0 110.418 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -43.79 -40.05 4.15 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 126.665 1.986 . . . . 0.0 112.912 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -64.39 -57.07 10.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.763 2.425 . . . . 0.0 112.649 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.63 -19.35 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.896 1.679 . . . . 0.0 112.682 -174.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' B' ' 14' ' ' VAL . 48.6 tp -76.95 -41.61 42.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.773 2.429 . . . . 0.0 112.68 172.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt -71.69 -30.86 66.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.54 0.736 . . . . 0.0 112.462 -167.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -53.52 -35.66 60.92 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.762 1.625 . . . . 0.0 112.006 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -97.67 -50.39 4.49 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 126.706 2.002 . . . . 0.0 110.324 -167.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -116.76 -5.02 11.58 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -166.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.02 28.29 0.16 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -46.39 132.33 15.61 Favored 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 122.849 2.366 . . . . 0.0 116.303 -174.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.23 -20.41 16.42 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.968 2.223 . . . . 0.0 114.275 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -69.1 -14.72 63.17 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.945 1.872 . . . . 0.0 111.93 156.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -0.47 4.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.426 3.09 . . . . 0.0 113.264 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -50.4 -27.5 6.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.899 0.88 . . . . 0.0 112.443 153.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.418 ' OG ' ' OD1' ' B' ' 52' ' ' ASP . 30.9 m -102.32 -66.2 0.94 Allowed 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 126.227 1.811 . . . . 0.0 109.935 165.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.18 14.61 26.37 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.393 0.996 . . . . 0.0 113.894 -167.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -95.1 -93.2 0.19 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-O 117.376 -1.297 . . . . 0.0 113.587 -142.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.418 ' HA ' ' HE3' ' B' ' 30' ' ' LYS . 11.3 t0 134.31 -36.78 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.671 3.188 . . . . 0.0 110.338 -153.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -101.43 -10.78 19.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' OG ' ' B' ' 47' ' ' SER . 0.4 OUTLIER -135.26 -84.69 0.4 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 116.912 -1.518 . . . . 0.0 109.933 167.4 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' H ' ' B' ' 56' ' ' LYS . . . -93.08 -168.85 2.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.662 1.574 . . . . 0.0 111.205 165.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.78 -53.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.908 1.683 . . . . 0.0 110.086 -144.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.46 -35.19 67.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.155 1.382 . . . . 0.0 113.53 166.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.406 ' H ' ' HA ' ' B' ' 53' ' ' ALA . 29.3 mmtm -87.4 -3.82 59.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.35 1.432 . . . . 0.0 114.473 172.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.13 -4.7 58.21 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.552 -0.717 . . . . 0.0 110.565 159.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.33 -75.14 0.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.906 1.682 . . . . 0.0 109.453 165.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -41.51 4.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 130.384 3.474 . . . . 0.0 114.974 -166.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.84 -48.93 79.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.146 1.778 . . . . 0.0 111.864 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.612 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -85.26 -45.78 11.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.773 1.629 . . . . 0.0 112.281 -178.231 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -30.35 -34.63 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 131.961 4.104 . . . . 0.0 115.058 168.048 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.26 -23.55 9.17 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.505 1.522 . . . . 0.0 115.076 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.75 0.05 57.35 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 126.581 1.952 . . . . 0.0 111.153 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -142.26 -89.06 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.912 1.244 . . . . 0.0 112.772 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.22 -39.86 0.07 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.029 1.332 . . . . 0.0 112.717 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 166.31 -32.39 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 130.994 3.718 . . . . 0.0 110.608 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -85.83 95.54 9.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.09 -1.006 . . . . 0.0 109.55 170.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 73' ' ' GLU . 34.6 t -63.51 111.32 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 126.947 2.099 . . . . 0.0 112.144 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.12 167.23 16.53 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.675 2.39 . . . . 0.0 113.127 163.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -59.41 -33.51 71.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.636 1.174 . . . . 0.0 112.51 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -64.73 -56.78 11.54 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.239 1.015 . . . . 0.0 110.948 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.451 ' HB2' HG13 ' B' ' 69' ' ' VAL . 5.1 mt-10 -49.07 -54.06 17.66 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.043 1.737 . . . . 0.0 110.78 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 38.1 t80 -50.05 -66.09 0.45 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.849 1.659 . . . . 0.0 110.781 173.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.505 HG12 HG21 ' A' ' 82' ' ' THR . 8.2 tp -64.09 -36.28 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.641 1.11 . . . . 0.0 112.591 -166.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.72 -52.05 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.511 1.124 . . . . 0.0 110.605 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -80.99 -20.53 41.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' B' ' 74' ' ' PHE . 25.2 t -56.53 -47.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 124.637 1.175 . . . . 0.0 108.667 163.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -1.31 1.82 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 168.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.78 -40.26 9.44 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.997 1.271 . . . . 0.0 111.673 158.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mm -54.22 -35.97 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.898 2.079 . . . . 0.0 111.634 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.445 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.9 t -53.66 -49.06 68.76 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.057 0.844 . . . . 0.0 112.833 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 42.8 p -61.25 -32.42 72.23 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.404 -0.81 . . . . 0.0 112.217 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 125.094 1.358 . . . . 0.0 114.076 174.654 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 p -70.66 178.74 2.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.389 1.876 . . . . 0.0 111.249 162.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.69 -47.48 70.44 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.662 -1.274 . . . . 0.0 112.338 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -60.66 3.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.568 1.547 . . . . 0.0 110.426 172.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.07 -30.05 70.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 116.988 -1.482 . . . . 0.0 112.873 -172.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.96 -24.74 28.19 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.54 2.336 . . . . 0.0 112.832 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.75 96.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.752 1.16 . . . . 0.0 109.821 158.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.427 ' SD ' HG12 ' B' ' 78' ' ' VAL . 28.9 mtt -70.44 -20.87 62.87 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 167.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.78 88.13 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.817 1.675 . . . . 0.0 111.452 168.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.45 -21.92 59.36 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.093 1.446 . . . . 0.0 113.291 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.4 -54.22 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.836 -1.165 . . . . 0.0 110.847 160.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.24 -21.65 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.032 0.933 . . . . 0.0 110.824 171.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -79.86 -33.06 40.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.36 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -67.45 -29.68 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 122.165 2.257 . . . . 0.0 110.643 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 58.5 t80 -63.87 -51.71 63.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 111.834 160.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -70.15 2.84 3.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.06 1.344 . . . . 0.0 114.248 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -54.75 5.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.434 2.293 . . . . 0.0 110.138 159.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -91.18 -48.51 6.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.237 1.415 . . . . 0.0 113.359 -168.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.19 93.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.685 158.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.36 68.09 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 118.784 -1.009 . . . . 0.0 114.207 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.489 1.479 1 C-N-CA 132.626 4.37 . . . . 0.0 110.884 -171.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 72.99 3.72 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.345 1.069 . . . . 0.0 108.887 170.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -52.33 148.57 6.49 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.619 149.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -32.07 -41.21 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 129.371 3.069 . . . . 0.0 115.76 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.21 -25.66 25.81 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -74.2 -43.94 55.23 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.878 1.339 . . . . 0.0 109.452 170.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' A' ' 54' ' ' VAL . 6.0 tt -49.56 -44.52 46.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.082 2.153 . . . . 0.0 113.343 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -37.73 76.6 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.11 -47.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.963 0.801 . . . . 0.0 109.939 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.2 -29.69 9.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.125 1.77 . . . . 0.0 112.881 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.455 ' HG3' HD23 ' A' ' 33' ' ' LEU . 5.6 mmt -85.56 -16.3 39.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.145 -1.597 . . . . 0.0 112.738 -178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -32.4 73.94 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.756 1.162 . . . . 0.0 110.847 162.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 39' ' ' LYS . 1.7 mmmp? -86.67 -59.23 2.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.674 2.39 . . . . 0.0 110.944 -174.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.56 -40.89 14.77 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.189 1.395 . . . . 0.0 114.48 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.79 47.77 2.46 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.159 1.384 . . . . 0.0 113.225 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -41.47 -37.53 3.45 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.765 2.976 . . . . 0.0 117.813 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 -14.89 81.91 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 120.039 1.291 . . . . 0.0 115.351 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.88 -17.07 62.14 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.798 -1.413 . . . . 0.0 111.39 168.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 0.32 13.6 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.37 -26.46 52.97 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.475 0.579 . . . . 0.0 112.317 156.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -85.21 -72.49 0.48 Allowed 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.043 0.537 . . . . 0.0 109.996 156.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 3.16 3.26 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.917 1.246 . . . . 0.0 115.202 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -132.45 98.34 4.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 126.902 2.081 . . . . 0.0 109.586 -156.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.72 13.35 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 1 C-N-CA 132.343 4.257 . . . . 0.0 117.485 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -106.26 -13.73 15.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.935 2.094 . . . . 0.0 112.257 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -121.7 -94.61 0.5 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.791 1.237 . . . . 0.0 110.807 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.06 -164.26 0.72 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.177 1.353 . . . . 0.0 110.325 160.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 33' ' ' LEU . 53.4 t 62.56 -54.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 126.2 1.8 . . . . 0.0 110.239 -158.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -51.72 -33.63 35.39 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.729 2.012 . . . . 0.0 113.478 160.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -89.68 -4.15 57.89 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.99 -2.91 56.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 164.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.266 3.3 tt -96.19 -81.07 0.42 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.941 2.896 . . . . 0.0 106.594 165.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -41.88 -55.59 3.03 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.784 1.634 . . . . 0.0 114.621 -166.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -42.85 43.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.605 1.962 . . . . 0.0 113.097 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.37 -40.29 11.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.988 1.315 . . . . 0.0 112.5 176.451 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -7.3 1.58 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.341 1.456 . . . . 0.0 113.85 175.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.88 -23.59 2.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.386 1.074 . . . . 0.0 113.754 160.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.96 -17.65 49.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.645 1.178 . . . . 0.0 113.676 170.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.06 -96.22 0.66 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.539 2.018 . . . . 0.0 112.969 -169.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -157.64 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.768 1.227 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.39 31.03 1.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.997 2.519 . . . . 0.0 110.535 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -141.71 99.23 3.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.24 2.216 . . . . 0.0 109.511 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.1 t -66.56 118.0 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.165 1.386 . . . . 0.0 112.762 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.86 166.81 22.84 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.443 1.897 . . . . 0.0 113.056 164.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.82 -34.07 73.98 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.617 1.167 . . . . 0.0 113.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 p -63.35 -57.42 10.42 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.754 1.222 . . . . 0.0 110.594 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 4.3 mt-10 -49.15 -51.45 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 130.502 3.521 . . . . 0.0 110.397 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 43.3 t80 -50.0 -67.5 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.802 1.241 . . . . 0.0 111.796 166.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.29 -38.28 73.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 120.239 1.381 . . . . 0.0 112.73 -169.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.66 -55.77 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.762 1.225 . . . . 0.0 110.628 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -76.42 -27.26 56.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.57 -45.29 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.556 167.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.94 -2.85 16.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.63 13.54 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.441 1.019 . . . . 0.0 111.91 157.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.9 mm -55.98 -42.4 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.004 1.322 . . . . 0.0 111.434 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.418 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 11.8 t -57.15 -10.87 1.35 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 171.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 m -106.52 -49.43 3.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.147 1.379 . . . . 0.0 109.324 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 125.268 1.427 . . . . 0.0 112.715 176.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.7 p -142.79 -86.8 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 112.765 -156.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.39 -66.55 0.24 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.744 3.618 . . . . 0.0 104.693 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.8 -56.46 19.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.396 2.279 . . . . 0.0 112.15 161.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -75.34 -24.39 57.34 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.295 -0.878 . . . . 0.0 111.657 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.23 65.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.953 -0.546 . . . . 0.0 111.545 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.08 92.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.835 0.854 . . . . 0.0 111.212 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.418 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 54.8 mtm -60.48 -36.62 78.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.527 1.058 . . . . 0.0 112.875 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.23 -0.93 0.22 Allowed Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.903 1.716 . . . . 0.0 116.337 162.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.9 mtp -106.48 -41.15 5.36 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.206 2.003 . . . . 0.0 111.901 168.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.8 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.974 1.261 . . . . 0.0 112.336 174.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.33 -27.29 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.633 0.773 . . . . 0.0 110.834 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -103.26 6.74 38.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.815 1.646 . . . . 0.0 114.271 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 -28.18 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 120.552 -1.342 . . . . 0.0 110.231 152.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' B' ' 28' ' ' LEU . 53.2 t80 -70.74 -41.43 71.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.246 1.418 . . . . 0.0 113.435 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.4 t -62.58 14.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.991 2.116 . . . . 0.0 114.806 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -60.9 1.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.7 2.4 . . . . 0.0 108.507 165.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -75.93 -76.63 0.15 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.11 2.164 . . . . 0.0 111.314 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.455 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 29.1 t . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 123.359 0.663 . . . . 0.0 112.637 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' B' ' 15' ' ' PHE . 10.3 mp -68.46 73.71 0.23 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.667 1.222 . . . . 0.0 111.313 168.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -56.7 148.62 19.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.431 1.492 . . . . 0.0 108.627 146.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -50.62 -29.86 11.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.149 2.179 . . . . 0.0 113.999 -174.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.16 -26.82 32.69 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.256 1.408 . . . . 0.0 115.256 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -75.31 -46.64 32.16 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.996 1.398 . . . . 0.0 109.407 167.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.42 HD22 HG13 ' B' ' 54' ' ' VAL . 7.5 tt -49.42 -50.45 40.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.792 2.037 . . . . 0.0 112.166 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -57.45 -50.59 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.75 -22.16 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.3 -37.13 66.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.85 2.06 . . . . 0.0 111.717 171.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.591 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.1 mmt -72.15 -19.29 61.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.067 0.947 . . . . 0.0 112.545 -174.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -61.18 -23.96 65.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 112.745 164.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -109.01 -54.6 2.51 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.991 1.716 . . . . 0.0 109.598 -167.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.438 ' CB ' HD12 ' B' ' 41' ' ' LEU . 85.5 mt-10 -83.24 -31.26 27.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' SD ' ' B' ' 37' ' ' MET . 6.6 mp -127.05 30.32 0.19 Allowed Pre-proline 0 CA--C 1.565 1.526 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -171.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -49.43 120.95 6.33 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 123.08 2.136 . . . . 0.0 112.766 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.7 -33.96 4.57 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.652 1.596 . . . . 0.0 113.042 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.571 ' CD2' HD23 ' B' ' 41' ' ' LEU . 8.0 m-85 -70.85 -20.53 62.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.009 1.905 . . . . 0.0 112.113 163.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 1.41 1.73 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.026 1.73 . . . . 0.0 114.62 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -26.13 27.09 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.702 -0.624 . . . . 0.0 111.206 156.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -75.36 -70.63 0.41 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.832 1.653 . . . . 0.0 111.888 160.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.92 2.17 44.42 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.404 2.906 . . . . 0.0 114.876 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.48 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 5.7 ttpm? -161.49 111.96 1.67 Allowed 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 124.77 1.228 . . . . 0.0 108.686 -148.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.3 45.11 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.902 3.281 . . . . 0.0 115.009 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.58 -12.63 2.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.73 2.412 . . . . 0.0 113.593 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -123.34 -79.67 0.62 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.742 1.156 . . . . 0.0 110.646 166.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.7 -156.12 0.54 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.058 0.943 . . . . 0.0 110.122 160.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.42 HG13 HD22 ' B' ' 33' ' ' LEU . 74.6 t 59.9 -57.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.851 1.66 . . . . 0.0 109.778 -148.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -47.58 -32.13 5.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.496 2.319 . . . . 0.0 113.881 161.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -96.14 -9.89 29.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.447 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.8 mm? -81.44 -0.32 41.09 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.535 -0.728 . . . . 0.0 110.508 159.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tt -103.45 -71.26 0.73 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.157 2.583 . . . . 0.0 108.587 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -28.3 8.85 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.239 2.216 . . . . 0.0 116.167 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.04 -49.08 63.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.244 1.018 . . . . 0.0 111.906 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.552 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -86.88 -38.85 16.36 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.687 1.595 . . . . 0.0 112.774 -173.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -25.45 -33.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.838 1 C-N-CA 132.246 4.218 . . . . 0.0 116.178 166.142 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.51 31.64 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.162 1.785 . . . . 0.0 115.329 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -22.14 30.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.485 1.114 . . . . 0.0 112.158 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.56 -67.2 0.05 OUTLIER Glycine 0 CA--C 1.527 0.796 0 CA-C-N 120.067 1.303 . . . . 0.0 114.037 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -157.67 -62.0 0.09 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.659 0.784 . . . . 0.0 112.752 -170.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.02 -54.22 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 130.005 3.322 . . . . 0.0 107.836 -157.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.19 97.47 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.729 -0.607 . . . . 0.0 109.659 158.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.48 124.56 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.778 1.631 . . . . 0.0 113.559 -168.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 169.42 17.88 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.05 1.74 . . . . 0.0 113.797 164.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -61.26 -29.74 70.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 113.182 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -65.46 -56.35 12.93 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.5 1.92 . . . . 0.0 110.118 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.04 -50.28 67.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.144 0.978 . . . . 0.0 110.563 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 15' ' ' PHE . 35.3 t80 -51.18 -65.91 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.866 1.266 . . . . 0.0 111.921 173.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.9 -38.73 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.325 0.966 . . . . 0.0 111.928 -169.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.41 -39.0 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.116 1.366 . . . . 0.0 112.2 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -95.19 -19.61 19.92 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG12 ' SD ' ' A' ' 8' ' ' MET . 59.5 t -55.01 -34.69 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 119.555 1.071 . . . . 0.0 110.669 165.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.56 65.43 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 169.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.3 -51.13 5.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.556 1.071 . . . . 0.0 109.923 165.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -46.13 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 128.943 2.897 . . . . 0.0 112.665 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -50.29 -28.3 7.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.702 1.601 . . . . 0.0 113.96 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -99.03 -46.04 5.73 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.536 0.735 . . . . 0.0 111.705 166.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -165.088 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.451 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 46.7 ttp . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.2 p -151.55 -172.27 4.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.295 2.638 . . . . 0.0 108.944 -165.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -56.15 -48.92 75.35 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 121.239 1.836 . . . . 0.0 111.309 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 HG22 ' B' ' 78' ' ' VAL . 7.0 tt -61.51 -53.48 55.79 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 128.027 2.531 . . . . 0.0 112.208 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 59.1 mt-10 -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.28 74.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 120.433 1.47 . . . . 0.0 110.993 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.67 84.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.101 0.41 . . . . 0.0 110.804 167.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.22 -32.56 73.24 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.46 -29.19 16.64 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.163 -1.354 . . . . 0.0 112.927 165.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtt -83.96 -31.01 25.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.691 1.746 . . . . 0.0 113.405 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -39.67 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 120.648 1.567 . . . . 0.0 111.186 168.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.9 mm -57.04 -31.94 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.332 164.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.87 -49.78 66.87 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.858 -1.544 . . . . 0.0 111.884 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.09 -30.05 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.554 2.434 . . . . 0.0 112.8 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.81 -49.79 49.24 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.637 -1.29 . . . . 0.0 112.599 164.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -18.25 64.21 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.929 1.692 . . . . 0.0 113.142 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -57.27 3.99 Favored 'General case' 0 CA--C 1.531 0.213 1 C-N-CA 131.994 4.118 . . . . 0.0 108.717 169.603 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.56 -50.4 12.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.6 p -62.98 -14.72 51.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.181 0.992 . . . . 0.0 112.68 166.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.43 0.67 8.39 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.938 1.732 . . . . 0.0 115.147 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.484 1.259 1 C-N-CA 132.326 4.25 . . . . 0.0 112.629 -172.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.23 68.5 0.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.293 1.037 . . . . 0.0 110.861 167.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 32' ' ' GLU . 9.6 t -56.12 154.7 7.4 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.552 -0.718 . . . . 0.0 109.133 151.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -36.34 -38.22 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 129.345 3.058 . . . . 0.0 114.0 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.56 -34.49 8.49 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.092 1.329 . . . . 0.0 116.003 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tt0 -70.2 -47.48 61.32 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.772 1.786 . . . . 0.0 109.719 173.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -44.9 -52.33 8.76 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.369 1.468 . . . . 0.0 109.699 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -55.08 -54.34 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.438 1.895 . . . . 0.0 113.48 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.8 -10.37 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.32 -28.09 38.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.414 1.485 . . . . 0.0 111.619 165.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -23.54 19.68 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -159.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -20.31 62.87 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 121.669 2.031 . . . . 0.0 111.023 168.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -92.49 -59.07 2.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.699 2.0 . . . . 0.0 110.334 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.93 -4.06 17.06 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -165.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.35 36.77 0.29 Allowed Pre-proline 0 CA--C 1.564 1.5 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 170.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -48.66 133.35 26.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 122.401 1.893 . . . . 0.0 112.998 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.26 -25.67 24.22 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.479 1.514 . . . . 0.0 113.806 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.69 -15.9 60.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.809 1.805 . . . . 0.0 112.356 160.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.81 17.97 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.992 1.717 . . . . 0.0 114.256 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.0 -28.49 66.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 158.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 49' ' ' LYS . 10.3 m -82.24 -73.58 0.39 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.406 0.682 . . . . 0.0 110.476 156.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.09 -19.17 0.06 OUTLIER Glycine 0 CA--C 1.544 1.893 0 C-N-CA 127.302 2.382 . . . . 0.0 116.242 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 47' ' ' SER . 6.8 ttpm? -105.89 106.12 16.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 131.496 3.918 . . . . 0.0 109.042 -173.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -56.71 20.53 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.017 3.727 . . . . 0.0 115.632 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -111.92 -11.02 13.94 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.036 2.134 . . . . 0.0 111.673 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.64 -103.23 0.41 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.456 161.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HA ' ' H ' ' A' ' 56' ' ' LYS . . . -77.79 -160.88 0.21 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.824 1.647 . . . . 0.0 111.459 166.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t 62.4 -60.21 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 126.296 1.838 . . . . 0.0 109.185 -154.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.45 -39.43 64.43 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.161 1.785 . . . . 0.0 112.862 160.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' HA ' ' A' ' 53' ' ' ALA . 26.2 mmtm -90.88 9.65 29.51 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 170.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.77 -65.34 1.0 Allowed 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 146.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -35.9 -64.93 0.28 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.22 1.408 . . . . 0.0 111.861 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -20.53 6.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.156 2.182 . . . . 0.0 115.895 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -42.46 15.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.904 0.775 . . . . 0.0 111.522 176.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -84.67 -34.07 23.08 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.265 1.026 . . . . 0.0 112.584 -179.199 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -31.39 -41.91 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 131.404 3.882 . . . . 0.0 113.818 162.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.99 -26.8 11.47 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.672 1.589 . . . . 0.0 114.617 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.21 4.36 50.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.89 -70.34 0.01 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 116.07 1.188 . . . . 0.0 116.07 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -159.85 -68.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.0 1.32 . . . . 0.0 111.439 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 160.5 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 130.446 3.498 . . . . 0.0 108.609 -164.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.11 78.41 0.95 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.023 0.916 . . . . 0.0 110.112 163.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 61' ' ' LEU . 19.9 t -48.75 121.12 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 129.105 2.962 . . . . 0.0 113.014 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . 0.254 0.0 OUTLIER -89.81 172.05 9.18 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.122 1.369 . . . . 0.0 113.791 170.27 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -44.65 43.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.849 1.66 . . . . 0.0 113.731 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.5 p -69.01 -12.79 62.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.076 2.15 . . . . 0.0 114.025 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -106.25 -46.6 4.01 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.147 1.779 . . . . 0.0 107.235 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 18.9 t80 -48.32 -62.36 1.53 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.434 1.894 . . . . 0.0 111.497 159.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -61.14 -40.29 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -163.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.4 t -57.06 -46.8 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.321 1.448 . . . . 0.0 110.7 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -84.13 -21.55 31.37 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 23.5 t -54.03 -46.5 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.613 1.097 . . . . 0.0 108.82 165.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -5.37 12.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.45 -45.3 9.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.997 1.272 . . . . 0.0 110.762 160.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -40.42 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 129.133 2.973 . . . . 0.0 112.288 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -47.86 -39.18 17.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -87.02 -43.15 12.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.381 1.072 . . . . 0.0 111.368 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -164.37 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.6 p -76.62 -170.55 1.58 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.795 3.238 . . . . 0.0 111.892 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -72.91 -44.11 61.61 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.817 3.008 . . . . 0.0 110.909 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.78 -52.03 34.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.55 1.54 . . . . 0.0 110.985 168.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.02 -19.88 50.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.886 -1.054 . . . . 0.0 113.816 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 -40.73 54.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 121.209 1.822 . . . . 0.0 110.987 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.82 77.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.215 0.462 . . . . 0.0 110.621 167.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtm -68.56 -33.85 74.81 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.04 -40.66 10.15 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 118.205 -1.331 . . . . 0.0 111.027 160.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 57.8 mtp -71.3 -25.61 62.51 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 115.745 -2.074 . . . . 0.0 114.969 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB ' ' B' ' 14' ' ' VAL 0.313 0.0 OUTLIER -89.17 -29.5 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 122.954 2.616 . . . . 0.0 113.52 171.023 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.2 -38.2 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 118.68 0.673 . . . . 0.0 109.648 159.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.551 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 17.8 t70 -84.7 -15.66 44.48 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' B' ' 11' ' ' ILE . 0.6 OUTLIER -72.22 -32.61 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.237 -1.539 . . . . 0.0 110.128 161.592 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' B' ' 28' ' ' LEU . 32.8 t80 -73.45 -38.95 65.31 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 113.07 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 12.2 t -43.97 -35.83 2.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 129.488 3.115 . . . . 0.0 114.847 174.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -50.07 -27.3 5.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.674 2.79 . . . . 0.0 113.33 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -130.91 -53.05 1.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.007 1.723 . . . . 0.0 112.01 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -173.766 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.6 p . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 117.757 2.503 . . . . 0.0 117.757 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' B' ' 15' ' ' PHE . 10.9 mp -71.14 66.08 0.4 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.719 1.247 . . . . 0.0 110.582 167.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -50.39 145.26 6.54 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.315 145.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -41.01 -42.11 1.83 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.859 2.464 . . . . 0.0 114.391 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -24.9 65.12 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.579 1.085 . . . . 0.0 115.223 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -79.71 -52.83 7.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.699 1.25 . . . . 0.0 109.288 167.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.708 HD22 HG13 ' B' ' 54' ' ' VAL . 7.1 tt -43.0 -54.7 4.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.807 2.443 . . . . 0.0 112.15 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -39.49 55.59 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.14 -18.89 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.55 1.14 . . . . 0.0 111.452 -173.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.73 -43.37 15.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.206 1.802 . . . . 0.0 111.712 169.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.517 ' SD ' HD13 ' B' ' 41' ' ' LEU . 12.1 mmt -71.24 -34.41 70.75 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.552 1.141 . . . . 0.0 112.82 -168.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.72 -18.0 4.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.332 1.453 . . . . 0.0 112.807 170.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -115.55 -47.05 2.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.22 2.208 . . . . 0.0 110.255 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -102.13 -14.07 17.22 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.517 HD13 ' SD ' ' B' ' 37' ' ' MET . 5.8 mp -132.42 34.77 0.27 Allowed Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -36.21 111.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.835 3.024 . . . . 0.0 114.071 161.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.75 -42.02 1.53 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.25 1.405 . . . . 0.0 112.956 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -66.89 -21.92 65.98 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 123.073 1.416 . . . . 0.0 111.401 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -1.63 9.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.113 2.565 . . . . 0.0 113.359 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -52.05 -35.35 47.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.049 0.94 . . . . 0.0 112.107 162.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.1 m -108.09 -47.15 3.61 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 124.896 1.279 . . . . 0.0 110.997 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.6 23.47 49.68 Favored Glycine 0 CA--C 1.538 1.509 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.924 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -124.72 162.26 24.6 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -154.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.7 -8.21 4.37 Favored 'General case' 0 CA--C 1.544 0.718 1 C-N-CA 132.115 4.166 . . . . 0.0 115.375 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 -33.9 5.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.554 1.142 . . . . 0.0 112.92 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -149.22 -0.63 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -153.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.51 -67.55 0.3 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.852 1.66 . . . . 0.0 114.097 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.708 HG13 HD22 ' B' ' 33' ' ' LEU . 62.4 t -58.18 -37.78 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.572 0.749 . . . . 0.0 109.559 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.53 -26.15 68.41 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -91.42 -39.56 11.92 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.977 1.262 . . . . 0.0 111.695 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.75 -8.48 3.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.003 164.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 tt -92.59 -80.15 0.38 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.073 2.149 . . . . 0.0 107.89 158.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -41.29 14.72 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.232 1.813 . . . . 0.0 115.861 -166.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -37.18 86.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.065 0.848 . . . . 0.0 111.849 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' N ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -95.22 -43.99 7.82 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.614 1.566 . . . . 0.0 111.897 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -4.83 0.89 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.632 1.573 . . . . 0.0 113.283 174.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.86 -25.76 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.354 158.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.77 -16.38 55.67 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.716 1.206 . . . . 0.0 113.626 170.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -96.49 0.69 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.26 1.886 . . . . 0.0 112.22 -172.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -159.28 -79.21 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.372 1.069 . . . . 0.0 111.377 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.47 24.35 1.25 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.438 1.895 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -138.83 76.87 1.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.957 1.703 . . . . 0.0 111.867 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -42.34 124.18 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 127.631 2.372 . . . . 0.0 114.466 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.72 167.82 11.22 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 127.922 2.489 . . . . 0.0 113.267 168.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -60.15 -38.52 83.4 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.626 -1.296 . . . . 0.0 113.317 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -75.96 1.74 14.48 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.978 0.808 . . . . 0.0 112.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -112.22 -51.75 2.82 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 127.461 2.304 . . . . 0.0 107.297 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.27 -60.53 2.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.819 1.248 . . . . 0.0 111.655 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.0 -39.95 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 120.127 1.33 . . . . 0.0 113.391 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.06 -52.35 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.639 1.176 . . . . 0.0 109.911 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.83 -18.41 47.53 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.428 HG22 HD11 ' A' ' 4' ' ' LEU . 25.4 t -50.36 -51.49 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 120.266 1.394 . . . . 0.0 108.797 161.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -16.86 63.88 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 -19.58 44.27 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.875 -1.141 . . . . 0.0 113.221 164.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.75 -46.47 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.613 1.565 . . . . 0.0 110.876 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.496 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -54.96 -43.58 73.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.209 163.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 17.3 m -64.67 -13.54 54.56 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 125.328 1.451 . . . . 0.0 111.257 171.174 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.477 0.18 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 p -148.0 -175.6 4.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 131.228 3.811 . . . . 0.0 106.531 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.49 -52.8 63.35 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.662 2.028 . . . . 0.0 112.221 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' B' ' 41' ' ' LEU . 1.9 pp -67.48 -36.81 81.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.85 -28.44 58.2 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.652 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.73 82.31 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.502 1.046 . . . . 0.0 110.235 169.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.1 78.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.445 0.698 . . . . 0.0 112.862 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.498 ' SD ' HG12 ' B' ' 78' ' ' VAL . 69.4 mtm -62.5 -33.62 75.23 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.931 1.241 . . . . 0.0 112.912 173.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.44 -40.02 3.51 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.451 161.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mtt -76.58 -18.25 58.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.984 1.892 . . . . 0.0 114.926 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -24.89 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 120.618 1.554 . . . . 0.0 113.285 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.48 -28.28 39.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 147.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -73.72 -42.2 61.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.145 -1.883 . . . . 0.0 113.051 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 3.0 m -60.39 -35.17 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 122.542 2.428 . . . . 0.0 111.965 172.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -58.86 -46.71 87.12 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.398 0.544 . . . . 0.0 111.4 165.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 m -62.92 -24.41 67.84 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 114.011 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -70.31 -46.48 64.14 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.755 1.616 . . . . 0.0 110.045 168.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.411 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 44.1 m-85 -104.37 -24.26 13.1 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -159.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.9 m -75.84 -8.53 57.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.647 1.112 . . . . 0.0 111.667 149.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.89 7.51 36.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.939 1.257 . . . . 0.0 113.99 -166.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.477 0.879 1 C-N-CA 133.728 4.811 . . . . 0.0 107.237 -167.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.9 110.35 22.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.89 3.276 . . . . 0.0 108.407 158.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -74.81 162.06 29.01 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.595 1.089 . . . . 0.0 111.364 160.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -53.06 -33.95 54.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.279 1.832 . . . . 0.0 113.399 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.33 -11.27 72.53 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.799 1.19 . . . . 0.0 115.006 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -100.04 -43.19 6.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 128.187 2.595 . . . . 0.0 109.452 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.29 -25.63 1.64 Allowed 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 128.793 2.837 . . . . 0.0 114.756 165.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -76.23 -43.26 42.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.701 2.046 . . . . 0.0 115.548 -164.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.48 -10.65 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 122.358 1.075 . . . . 0.0 111.966 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 11.8 tp -74.02 -30.08 62.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.78 2.432 . . . . 0.0 111.77 163.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.89 -47.46 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.423 -1.423 . . . . 0.0 111.397 -170.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.85 -5.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 129.151 2.981 . . . . 0.0 115.057 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -141.84 -53.45 0.44 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 129.163 2.985 . . . . 0.0 108.26 -148.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -103.73 -21.73 13.66 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.353 0.0 OUTLIER -147.28 69.75 11.67 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 121.256 1.844 . . . . 0.0 114.818 164.595 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.77 -5.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.965 5.11 . . . . 0.0 119.714 169.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.99 2.78 87.19 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.807 1.67 . . . . 0.0 115.199 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -118.78 6.79 11.51 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.248 1.419 . . . . 0.0 112.303 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.78 -14.74 24.41 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.437 1.895 . . . . 0.0 112.686 -168.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 46' ' ' GLN . 21.9 mp0 -63.56 -24.31 67.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.347 2.259 . . . . 0.0 110.424 170.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -91.46 -70.22 0.7 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.423 1.489 . . . . 0.0 109.732 153.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.96 -9.48 6.54 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.91 1.924 . . . . 0.0 117.91 168.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' A' ' 50' ' ' ASP 0.297 0.0 OUTLIER -155.54 -67.74 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.677 2.239 . . . . 0.0 114.254 169.135 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 20.2 m-20 29.04 6.58 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 135.891 5.676 . . . . 0.0 120.387 176.594 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 65.97 3.5 2.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.811 2.445 . . . . 0.0 112.517 -153.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 1.5 t70 -128.37 -169.08 2.01 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 128.263 2.625 . . . . 0.0 111.188 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 48.15 -66.27 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 130.116 3.366 . . . . 0.0 117.47 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.93 -40.81 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.006 1.722 . . . . 0.0 109.578 154.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 34.3 t70 -64.48 -27.94 69.32 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 170.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -92.87 -30.66 15.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.439 1.472 . . . . 0.0 112.124 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.87 1.6 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.519 1.528 . . . . 0.0 113.348 156.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -112.75 -68.83 0.9 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.839 2.456 . . . . 0.0 109.047 164.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -29.12 10.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.739 2.416 . . . . 0.0 115.803 -173.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.09 -37.32 66.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.431 1.014 . . . . 0.0 111.825 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -90.54 -41.15 11.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.762 1.625 . . . . 0.0 112.195 -176.148 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -28.17 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 132.805 4.442 . . . . 0.0 116.127 168.133 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.68 -22.68 24.39 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.531 1.532 . . . . 0.0 115.014 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -7.88 56.84 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.293 1.837 . . . . 0.0 111.659 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.16 -77.12 0.02 OUTLIER Glycine 0 C--N 1.343 0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 114.43 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -146.53 -62.68 0.3 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 147.3 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 129.805 3.242 . . . . 0.0 107.714 -156.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.12 101.31 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 152.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.44 108.3 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 126.666 1.986 . . . . 0.0 110.757 -161.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 161.73 10.07 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.367 1.867 . . . . 0.0 112.609 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -56.97 -33.93 67.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.851 . . . . 0.0 112.322 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -65.86 -52.84 46.92 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.516 1.127 . . . . 0.0 110.515 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.99 -50.8 60.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.008 1.323 . . . . 0.0 110.039 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.61 -64.59 0.85 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.771 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.456 HG12 HG21 ' B' ' 82' ' ' THR . 9.0 tp -59.89 -35.59 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.922 1.237 . . . . 0.0 113.292 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.39 -54.19 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.824 0.849 . . . . 0.0 110.222 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -78.07 -16.02 58.4 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.413 HG12 ' SD ' ' B' ' 8' ' ' MET . 47.4 t -56.4 -51.54 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 120.61 1.55 . . . . 0.0 109.203 165.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -58.09 -33.35 69.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.753 0.706 . . . . 0.0 112.865 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.12 -27.7 68.25 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.342 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.45 -47.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 121.329 1.877 . . . . 0.0 112.026 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -59.09 -37.73 77.81 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.846 1.203 . . . . 0.0 110.671 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -47.11 84.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.226 0.61 . . . . 0.0 110.977 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.235 0 C-N-CA 124.43 1.092 . . . . 0.0 112.236 -176.472 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 16.0 p -152.27 -171.05 3.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.376 3.471 . . . . 0.0 107.039 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -65.44 -50.58 64.89 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 123.883 3.038 . . . . 0.0 110.114 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.32 -48.25 68.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.703 2.001 . . . . 0.0 112.672 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -78.79 -22.32 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.701 -1.143 . . . . 0.0 113.747 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.78 67.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 121.447 1.93 . . . . 0.0 110.411 169.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.19 78.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.536 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.413 ' SD ' HG12 ' A' ' 78' ' ' VAL . 76.1 mtm -68.52 -23.28 64.52 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 173.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.48 -44.81 22.45 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.477 -1.179 . . . . 0.0 110.573 159.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 30.8 mtt -69.44 -36.52 76.72 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.778 1.289 . . . . 0.0 113.68 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.43 0.0 OUTLIER -77.83 -9.6 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 171.09 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -87.24 -21.44 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.988 0 C-N-CA 125.128 1.371 . . . . 0.0 110.997 157.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -78.07 -34.23 50.39 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.147 -1.596 . . . . 0.0 112.644 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.01 -36.84 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 119.233 0.924 . . . . 0.0 112.142 164.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -73.83 -39.12 64.26 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.48 -0.763 . . . . 0.0 109.997 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -71.42 3.46 3.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.248 2.219 . . . . 0.0 113.348 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -71.85 0.28 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.844 1.202 . . . . 0.0 108.271 157.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -40.29 17.05 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -165.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.479 165.646 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.97 98.9 8.41 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.315 1.446 . . . . 0.0 108.455 158.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -69.47 148.72 49.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 109.74 162.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -48.16 -35.51 11.8 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.215 1.806 . . . . 0.0 113.418 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.43 65.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.424 -1.209 . . . . 0.0 115.117 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.46 -44.57 11.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.267 1.534 . . . . 0.0 109.706 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG13 ' B' ' 54' ' ' VAL . 9.8 tt -43.93 -49.63 8.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.846 2.859 . . . . 0.0 112.062 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -51.48 -41.45 60.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.66 -30.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 118.672 0.669 . . . . 0.0 111.238 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.1 -40.28 82.64 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.386 1.875 . . . . 0.0 111.616 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.484 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.3 mmt -64.95 -25.36 67.84 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.148 0.979 . . . . 0.0 112.968 -172.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -25.17 64.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.471 1.108 . . . . 0.0 112.782 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -107.22 -43.35 4.62 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 126.061 1.744 . . . . 0.0 111.086 -165.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -120.37 -9.12 9.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.392 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.505 ' CD1' HD21 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -117.6 31.08 0.15 Allowed Pre-proline 0 CA--C 1.565 1.53 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 168.649 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -39.14 117.86 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 123.548 2.832 . . . . 0.0 114.033 165.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -41.56 1.81 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.975 1.274 . . . . 0.0 112.799 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' B' ' 41' ' ' LEU . 97.2 m-85 -69.45 -20.49 63.76 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.325 1.562 . . . . 0.0 111.632 170.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -7.44 15.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.117 2.567 . . . . 0.0 113.52 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.8 -29.08 66.57 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.298 1.408 . . . . 0.0 111.782 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -100.26 -64.37 1.05 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.688 0.795 . . . . 0.0 109.516 159.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 -8.14 3.63 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 117.519 -1.712 . . . . 0.0 116.283 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.653 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.283 0.0 OUTLIER -160.7 -100.39 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.331 2.065 . . . . 0.0 112.27 167.459 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.653 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 1.9 m-20 52.25 19.74 1.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.652 3.181 . . . . 0.0 114.838 170.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.04 -7.17 0.22 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.343 2.657 . . . . 0.0 114.583 -167.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -131.64 6.78 4.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.444 1.498 . . . . 0.0 114.719 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.4 174.1 10.77 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.057 -1.027 . . . . 0.0 109.428 147.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.434 HG13 HD22 ' B' ' 33' ' ' LEU . 72.3 t 61.41 -57.15 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.278 1.831 . . . . 0.0 110.934 -161.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.73 -37.03 17.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.677 2.391 . . . . 0.0 113.697 164.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -95.88 -5.19 42.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.41 1.084 . . . . 0.0 113.736 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.18 2.92 55.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.224 1.009 . . . . 0.0 110.247 161.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.83 -78.65 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.262 2.625 . . . . 0.0 108.861 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -50.55 10.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.71 2.004 . . . . 0.0 114.502 -170.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -11.34 3.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.724 2.41 . . . . 0.0 114.409 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.597 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.3 OUTLIER -127.04 -35.71 2.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.393 1.877 . . . . 0.0 112.782 174.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -6.29 0.75 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.575 1.55 . . . . 0.0 113.35 167.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.96 -23.3 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.782 -1.199 . . . . 0.0 113.782 158.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.96 -3.85 56.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 125.592 1.557 . . . . 0.0 112.854 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.21 -102.87 0.77 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 127.098 2.285 . . . . 0.0 112.336 -174.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.79 -83.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.27 1.828 . . . . 0.0 110.765 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.44 25.95 2.0 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.623 2.369 . . . . 0.0 111.422 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -139.0 91.74 2.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.882 2.073 . . . . 0.0 109.925 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.97 125.12 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.433 1.893 . . . . 0.0 112.289 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.262 0.4 OUTLIER -87.04 169.4 12.45 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 120.294 1.406 . . . . 0.0 113.906 166.642 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -38.48 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.107 1.363 . . . . 0.0 113.571 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 76' ' ' VAL . 95.4 p -66.21 -54.14 28.72 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 110.101 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.1 -49.43 63.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.198 2.599 . . . . 0.0 110.517 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -53.79 -61.15 2.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.05 171.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -37.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 119.631 1.105 . . . . 0.0 112.93 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 72' ' ' SER . 0.5 OUTLIER -60.89 -48.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 119.863 1.211 . . . . 0.0 111.318 174.224 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.597 ' CG ' HD22 ' B' ' 61' ' ' LEU . 2.2 t80 -74.53 -24.77 59.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 8' ' ' MET . 83.7 t -56.68 -46.64 83.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.997 0.817 . . . . 0.0 109.377 167.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -65.56 -10.78 38.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 169.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.12 24.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.807 1.185 . . . . 0.0 111.884 162.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.27 -44.28 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 119.986 1.266 . . . . 0.0 111.651 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.456 HG21 HG12 ' A' ' 75' ' ' ILE . 12.7 t -65.27 -6.04 8.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 170.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.4 p -98.73 -29.45 13.0 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.53 1.132 . . . . 0.0 111.784 167.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 O-C-N 120.986 -1.071 . . . . 0.0 111.207 170.361 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 p -151.24 -177.71 6.21 Favored 'General case' 0 N--CA 1.474 0.739 1 C-N-CA 132.54 4.336 . . . . 0.0 106.966 -172.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HB2' HD22 ' A' ' 4' ' ' LEU . 17.5 mm-40 -52.34 -44.55 65.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.627 1.558 . . . . 0.0 113.285 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 3' ' ' GLU . 1.6 mm? -102.34 -21.95 14.21 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -173.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.05 -34.11 77.28 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.847 -1.158 . . . . 0.0 111.014 158.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.48 -23.05 37.64 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.792 1.178 . . . . 0.0 112.816 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.57 79.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 120.313 1.415 . . . . 0.0 109.603 158.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.572 ' SD ' HG12 ' B' ' 78' ' ' VAL . 8.2 mtm -59.89 -36.25 76.57 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 166.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.53 -28.76 5.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 117.624 -1.653 . . . . 0.0 114.052 162.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -82.72 -29.27 29.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.815 2.308 . . . . 0.0 113.755 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -87.49 -28.3 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.589 -1.319 . . . . 0.0 112.794 173.536 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.86 -38.58 80.91 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.291 153.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 28.8 t70 -56.52 -51.48 68.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 121.512 1.96 . . . . 0.0 111.522 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG12 HD11 ' A' ' 36' ' ' LEU . 54.0 t -45.33 -33.21 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.293 0.952 . . . . 0.0 112.358 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 28' ' ' LEU . 8.8 t80 -86.73 -27.93 23.36 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.432 1.893 . . . . 0.0 114.866 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.79 -27.87 65.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.056 2.542 . . . . 0.0 113.052 160.675 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.448 HH22 ' CD ' ' B' ' 3' ' ' GLU . 6.7 mtm180 -82.91 -61.81 1.77 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 112.649 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -81.82 -61.98 1.77 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.295 0.638 . . . . 0.0 112.399 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -3.02 3.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.236 1.814 . . . . 0.0 114.247 166.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 4.05 56.22 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.542 1.068 . . . . 0.0 114.848 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.481 1.118 1 C-N-CA 132.64 4.376 . . . . 0.0 107.345 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 10.6 p . . . . . 0 C--O 1.237 0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.2 mp -72.66 71.21 0.98 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.097 0.951 . . . . 0.0 110.2 162.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -50.23 148.03 3.81 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 146.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -38.94 -36.53 0.29 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.652 2.381 . . . . 0.0 113.84 172.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.74 -28.22 51.71 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.758 1.17 . . . . 0.0 115.228 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.2 -42.43 13.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.356 1.462 . . . . 0.0 110.276 172.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 54' ' ' VAL . 8.8 tt -45.28 -40.81 7.98 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 126.84 2.056 . . . . 0.0 112.098 175.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -69.39 -40.4 77.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.1 -11.3 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -170.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 HG12 ' A' ' 14' ' ' VAL 0.275 13.9 tp -74.46 -29.72 61.58 Favored 'General case' 0 CA--C 1.544 0.728 1 C-N-CA 131.811 4.044 . . . . 0.0 112.185 164.764 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -97.75 -20.52 17.52 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 119.589 -1.944 . . . . 0.0 113.362 -158.371 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.04 -30.78 71.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.44 1.018 . . . . 0.0 110.848 163.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -95.93 -55.06 3.11 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 127.834 2.454 . . . . 0.0 110.522 -164.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.9 -12.44 11.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.587 1.555 . . . . 0.0 111.789 -165.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' HE1' ' A' ' 37' ' ' MET . 6.0 mp -126.57 38.32 0.41 Allowed Pre-proline 0 CA--C 1.562 1.422 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -52.63 138.21 58.58 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 122.175 1.813 . . . . 0.0 112.914 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.09 -31.73 7.38 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.694 1.14 . . . . 0.0 113.996 -172.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.65 -18.51 64.03 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.606 1.703 . . . . 0.0 110.23 165.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -75.24 0.49 16.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.079 2.552 . . . . 0.0 114.49 172.532 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.93 -17.85 62.36 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.712 0.805 . . . . 0.0 112.499 163.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -103.86 -57.97 1.95 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.766 1.226 . . . . 0.0 110.323 153.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.47 15.38 52.54 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.396 0.0 OUTLIER 89.78 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 129.959 3.303 . . . . 0.0 112.682 -174.1 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.38 -21.68 11.71 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.512 1.925 . . . . 0.0 112.2 168.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? 139.12 -25.82 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.2 5.0 . . . . 0.0 110.888 -165.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.28 -91.34 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.348 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.39 -175.26 5.62 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.902 1.683 . . . . 0.0 113.897 -167.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 33' ' ' LEU . 39.4 t 61.39 -58.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 127.69 2.396 . . . . 0.0 110.085 -158.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -48.63 -54.67 13.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.251 1.42 . . . . 0.0 110.898 156.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.8 3.52 11.7 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.43 -71.01 0.47 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 152.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 59' ' ' LYS . 1.7 tt -36.71 -60.67 0.59 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.415 1.486 . . . . 0.0 112.554 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.31 -24.66 12.34 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.524 2.33 . . . . 0.0 115.526 -175.293 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.37 10.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.818 1.247 . . . . 0.0 110.204 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -75.71 -37.4 59.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.562 1.145 . . . . 0.0 112.68 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -25.95 -38.2 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 132.885 4.474 . . . . 0.0 115.466 164.618 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.09 52.26 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -10.78 54.44 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.465 1.106 . . . . 0.0 111.739 -177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.17 -69.57 0.01 OUTLIER Glycine 0 C--N 1.341 0.839 0 CA-C-N 120.402 1.455 . . . . 0.0 114.377 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -152.6 -63.42 0.16 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -172.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.25 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 130.343 3.457 . . . . 0.0 107.451 -159.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.27 89.42 0.13 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.992 0.901 . . . . 0.0 109.724 156.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 HD12 ' A' ' 61' ' ' LEU . 4.0 t -65.95 122.54 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.032 3.333 . . . . 0.0 113.31 -174.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.49 -179.65 5.63 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 127.623 2.369 . . . . 0.0 113.644 166.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -67.48 -35.23 78.77 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.329 -1.482 . . . . 0.0 112.645 -166.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -60.1 -55.65 31.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.069 0.947 . . . . 0.0 109.996 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HB2' HG13 ' A' ' 69' ' ' VAL . 12.9 mt-10 -51.07 -51.77 49.95 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.119 1.368 . . . . 0.0 109.721 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.65 -67.76 0.3 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.343 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.444 HG12 HG21 ' B' ' 82' ' ' THR . 9.3 tp -57.46 -36.83 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 120.231 1.378 . . . . 0.0 113.172 -168.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.5 t -59.59 -48.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 0.0 110.721 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -80.25 -20.56 44.23 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.501 HG12 ' SD ' ' B' ' 8' ' ' MET . 50.9 t -56.61 -45.27 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.43 1.014 . . . . 0.0 108.57 168.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -59.11 -17.25 24.73 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 168.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.33 18.12 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.279 -1.513 . . . . 0.0 111.701 166.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -45.4 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 127.161 2.185 . . . . 0.0 111.039 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.8 t -54.18 -42.37 69.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.806 1.185 . . . . 0.0 112.401 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 m -69.95 -31.04 68.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.505 0.722 . . . . 0.0 111.433 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 125.668 1.587 . . . . 0.0 114.32 173.652 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -154.17 -171.83 4.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 131.544 3.938 . . . . 0.0 107.33 -163.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.448 ' CD ' HH22 ' A' ' 17' ' ' ARG . 42.7 tt0 -60.69 -53.92 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.361 2.346 . . . . 0.0 112.012 169.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -55.78 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.513 1.925 . . . . 0.0 111.079 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 68.2 mt-10 -72.26 -30.92 65.32 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.586 -175.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.46 62.75 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.934 1.697 . . . . 0.0 111.964 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.11 81.73 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 109.992 163.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.501 ' SD ' HG12 ' A' ' 78' ' ' VAL . 44.9 mtm -58.61 -35.56 72.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 169.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.16 -32.2 2.42 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.151 -1.361 . . . . 0.0 113.181 164.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 20.6 mtt -85.87 -20.56 28.9 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.575 1.688 . . . . 0.0 114.728 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -99.22 -28.66 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.209 1.368 . . . . 0.0 112.035 173.241 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.32 -38.17 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.358 146.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 18.0 t70 -68.45 -29.15 67.72 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 121.354 1.888 . . . . 0.0 114.776 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.95 -23.17 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 122.672 2.487 . . . . 0.0 110.92 165.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 9.5 t80 -97.78 -9.81 25.92 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 170.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -97.62 -8.06 29.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.095 1.758 . . . . 0.0 112.445 170.656 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -55.9 -81.0 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.372 3.069 . . . . 0.0 110.366 154.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.39 -59.56 1.86 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.328 0.585 . . . . 0.0 111.971 -162.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 m . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.781 164.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.68 81.01 0.07 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 153.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -60.46 151.54 28.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.074 147.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -47.57 -36.83 11.19 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.793 2.037 . . . . 0.0 113.493 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -21.29 63.78 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.606 1.098 . . . . 0.0 114.847 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -80.45 -49.46 11.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.044 1.337 . . . . 0.0 109.907 171.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.482 HD22 HG13 ' B' ' 54' ' ' VAL . 6.7 tt -43.74 -60.91 1.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.948 2.099 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -41.45 -52.2 3.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -164.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.38 -12.41 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.194 2.198 . . . . 0.0 114.12 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.06 -33.07 33.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.54 1.936 . . . . 0.0 111.174 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mmt -81.88 -27.26 33.56 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.322 0.649 . . . . 0.0 111.599 -166.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.59 -28.19 44.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.863 1.665 . . . . 0.0 112.528 164.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -102.23 -59.24 1.74 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 126.127 1.771 . . . . 0.0 109.801 -166.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -99.17 -18.54 17.61 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -164.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.335 0.0 OUTLIER -140.98 56.12 6.23 Favored Pre-proline 0 CA--C 1.563 1.444 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 164.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -44.72 -13.12 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 126.851 5.034 . . . . 0.0 120.433 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.59 -25.08 68.55 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 121.247 1.84 . . . . 0.0 113.706 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -74.4 -7.89 54.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.256 1.028 . . . . 0.0 113.662 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -5.0 59.28 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.084 1.354 . . . . 0.0 113.13 -172.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.42 -30.77 61.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.164 1.386 . . . . 0.0 111.216 156.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -90.83 -60.76 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.832 2.053 . . . . 0.0 110.482 166.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.49 8.23 2.55 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 163.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 123.15 120.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 1 C-N-CA 133.775 4.83 . . . . 0.0 111.104 174.368 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' B' ' 52' ' ' ASP . 36.7 t70 -144.29 24.02 1.62 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 0.0 111.663 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER 58.95 -30.08 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 O-C-N 119.345 -2.097 . . . . 0.0 115.39 -159.135 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 50' ' ' ASP . 14.9 m-20 -112.17 -5.46 14.22 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 131.159 3.783 . . . . 0.0 112.953 173.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' B' ' 47' ' ' SER . . . -120.8 165.71 14.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.194 0.998 . . . . 0.0 109.097 160.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.482 HG13 HD22 ' B' ' 33' ' ' LEU . 1.7 t 59.2 -50.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.157 0.983 . . . . 0.0 110.463 -141.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.31 -33.56 42.94 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 127.502 2.321 . . . . 0.0 115.641 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -92.02 -5.47 52.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 121.224 1.829 . . . . 0.0 112.387 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.449 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -92.87 6.77 46.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.845 1.258 . . . . 0.0 109.552 159.34 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.25 -72.95 0.7 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.08 2.552 . . . . 0.0 108.791 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -41.85 -33.28 0.5 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 130.236 3.414 . . . . 0.0 115.425 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -20.89 59.96 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.009 1.724 . . . . 0.0 114.697 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -122.13 -28.88 4.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.183 2.593 . . . . 0.0 112.397 -176.373 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.97 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.54 1 C-N-CA 132.683 4.393 . . . . 0.0 114.683 156.158 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.88 -33.28 0.19 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.07 1.748 . . . . 0.0 113.654 157.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.44 -25.12 61.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.868 2.067 . . . . 0.0 116.035 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.15 34.57 0.08 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.76 1.864 . . . . 0.0 117.76 -165.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 50.55 0.67 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 130.941 3.696 . . . . 0.0 118.573 169.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 68' ' ' GLN . . . 175.98 -11.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 129.509 3.124 . . . . 0.0 112.12 167.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.401 ' H ' ' H ' ' B' ' 67' ' ' ALA . 31.7 mt-30 -112.52 104.85 12.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.449 1.1 . . . . 0.0 109.366 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.508 HG11 HD12 ' B' ' 61' ' ' LEU . 38.0 t -88.03 119.75 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 129.115 2.966 . . . . 0.0 111.604 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.68 171.93 13.49 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.265 1.426 . . . . 0.0 114.124 162.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -54.18 -57.84 9.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.632 2.373 . . . . 0.0 114.092 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -61.0 -24.38 66.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.424 1.889 . . . . 0.0 112.754 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.29 -50.87 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 128.588 2.755 . . . . 0.0 108.956 -169.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' B' ' 78' ' ' VAL . 67.5 t80 -45.5 -55.35 6.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.179 156.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.266 0.4 OUTLIER -58.43 -36.9 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.767 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -47.86 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.812 1.642 . . . . 0.0 110.156 169.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.54 ' CG ' HD22 ' B' ' 61' ' ' LEU . 3.8 t80 -75.69 -27.65 58.35 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 ' SD ' ' A' ' 8' ' ' MET . 60.5 t -60.49 -48.24 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.125 -0.985 . . . . 0.0 108.556 170.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -62.09 -5.59 2.35 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 168.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.71 -43.5 9.55 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.677 1.126 . . . . 0.0 111.866 160.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.5 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 128.373 2.669 . . . . 0.0 111.791 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.446 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 6.0 t -50.54 -61.62 2.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.678 0.672 . . . . 0.0 111.452 168.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.408 ' H ' HG23 ' B' ' 82' ' ' THR . 27.7 p -58.67 -29.19 66.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.437 1.495 . . . . 0.0 113.636 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.131 1.372 . . . . 0.0 110.361 173.073 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -159.42 -167.71 2.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.526 3.13 . . . . 0.0 107.341 -164.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.25 -55.94 28.46 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 122.265 2.302 . . . . 0.0 111.374 165.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.32 -47.36 81.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.926 2.091 . . . . 0.0 112.464 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -86.19 -21.78 27.3 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.115 -172.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.45 69.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.362 1.437 . . . . 0.0 109.638 162.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -55.59 23.74 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.568 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.319 1.2 ttt -69.59 -23.53 63.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.901 1.682 . . . . 0.0 114.226 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.83 -47.81 7.66 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 117.732 -1.594 . . . . 0.0 112.877 156.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 44.9 mtt -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.357 2.078 . . . . 0.0 113.809 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -26.82 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.598 1.09 . . . . 0.0 112.494 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.76 -24.52 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 118.067 0.394 . . . . 0.0 111.006 158.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 18.4 t70 -77.99 -43.12 30.54 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 120.398 -1.439 . . . . 0.0 113.287 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -59.9 -27.72 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.937 1.699 . . . . 0.0 111.988 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.0 t80 -69.24 -50.31 48.31 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.279 0.632 . . . . 0.0 110.597 165.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' N ' ' A' ' 21' ' ' SER . 15.4 m -56.96 -23.11 43.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.176 1.79 . . . . 0.0 115.109 174.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.415 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.2 OUTLIER -63.38 -65.07 0.73 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.848 1.659 . . . . 0.0 110.774 161.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -88.78 -46.45 8.97 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 -163.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 -4.41 58.09 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.941 1.246 . . . . 0.0 112.814 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.44 32.0 67.67 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 120.802 -1.186 . . . . 0.0 112.254 -165.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 16' ' ' SER . 7.5 m . . . . . 0 N--CA 1.465 0.301 0 C-N-CA 129.561 3.144 . . . . 0.0 107.882 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 121.027 3.714 . . . . 0.0 121.027 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 15' ' ' PHE . 10.1 mp -66.45 78.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.046 1.739 . . . . 0.0 109.513 157.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 152.99 12.52 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 148.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -43.43 -33.68 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.582 2.353 . . . . 0.0 113.027 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -21.28 56.72 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.938 1.256 . . . . 0.0 115.405 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -87.29 -48.6 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.243 1.521 . . . . 0.0 109.749 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tt -41.59 -45.13 3.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 128.284 2.634 . . . . 0.0 113.159 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -60.76 -34.3 74.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t -74.88 -36.46 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.768 0.827 . . . . 0.0 110.706 -172.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.27 -47.72 78.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.796 2.038 . . . . 0.0 111.611 164.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.523 ' HB3' HD21 ' A' ' 45' ' ' LEU . 1.5 mmm -67.63 -27.51 66.94 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -166.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -62.03 -25.38 67.63 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.949 1.25 . . . . 0.0 112.262 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -105.61 -50.79 3.13 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 126.233 1.813 . . . . 0.0 109.729 -167.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.89 -12.19 14.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 113.344 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.99 29.76 0.18 Allowed Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.533 1.533 . . . . 0.0 114.623 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.48 136.17 74.3 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 122.26 1.843 . . . . 0.0 111.746 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.98 -36.39 4.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.473 -1.182 . . . . 0.0 112.579 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -62.94 -24.44 67.87 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.113 1.957 . . . . 0.0 110.738 162.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -71.44 -0.07 9.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.495 1.518 . . . . 0.0 114.86 173.014 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.53 -16.12 54.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.315 0.962 . . . . 0.0 112.129 158.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -102.79 -59.7 1.66 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.046 1.338 . . . . 0.0 110.609 159.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' HE3' ' A' ' 49' ' ' LYS . . . 75.76 -14.13 6.14 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 117.291 -1.838 . . . . 0.0 116.334 175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HE3' ' C ' ' A' ' 48' ' ' GLY 0.348 0.0 OUTLIER 146.46 97.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 1 C-N-CA 132.49 4.316 . . . . 0.0 112.164 171.878 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 52' ' ' ASP . 62.9 m-20 -115.12 23.94 12.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.385 1.074 . . . . 0.0 111.346 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.272 3.0 tmtt? 59.91 -12.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.179 1.792 . . . . 0.0 114.258 -163.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 50' ' ' ASP . 74.9 m-20 -114.76 14.52 17.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.3 1.84 . . . . 0.0 113.388 169.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.67 172.48 13.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.973 1.309 . . . . 0.0 109.579 152.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t 58.51 -55.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.507 -157.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -50.85 -47.32 60.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.259 1.823 . . . . 0.0 112.11 164.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -77.56 -30.91 52.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.05 -3.35 3.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.959 1.704 . . . . 0.0 111.351 169.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -111.53 -55.67 2.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.092 2.957 . . . . 0.0 110.387 167.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HE2' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -58.24 -27.68 64.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 116.846 -1.549 . . . . 0.0 114.642 -172.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -75.52 -11.65 60.07 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.346 1.029 . . . . 0.0 113.026 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD22 ' CG ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -133.81 -31.4 1.17 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.935 1.294 . . . . 0.0 114.207 -171.198 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -19.08 -43.61 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 129.382 3.073 . . . . 0.0 114.685 151.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -22.5 8.29 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -18.73 32.75 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.346 1.458 . . . . 0.0 111.641 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.24 -73.53 0.03 OUTLIER Glycine 0 CA--C 1.527 0.838 0 CA-C-N 120.164 1.347 . . . . 0.0 114.373 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -151.11 -61.04 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -169.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.05 -54.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 130.584 3.554 . . . . 0.0 107.362 -154.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -62.79 93.28 0.05 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.82 157.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.8 124.35 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.267 2.227 . . . . 0.0 113.21 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.14 179.42 5.07 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 128.418 2.687 . . . . 0.0 112.975 167.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -72.25 -32.23 66.49 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.349 -1.469 . . . . 0.0 113.302 -162.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 t -56.93 -55.43 34.66 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.648 0.779 . . . . 0.0 109.927 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.61 -50.34 70.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 109.893 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.72 -56.46 19.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.736 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.472 HG12 HG21 ' B' ' 82' ' ' THR . 5.8 tp -62.93 -33.56 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.063 1.301 . . . . 0.0 112.804 -173.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.24 -51.46 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.124 0.97 . . . . 0.0 111.035 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.622 ' CG ' HD22 ' A' ' 61' ' ' LEU . 33.7 t80 -57.9 -43.57 86.22 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.936 0.789 . . . . 0.0 112.705 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.14 -48.64 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.679 1.992 . . . . 0.0 110.743 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.56 36.26 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.52 -41.74 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.719 1.145 . . . . 0.0 111.888 160.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 77' ' ' PHE . 18.2 mm -50.7 -45.61 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.495 1.918 . . . . 0.0 112.528 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HG12 ' B' ' 75' ' ' ILE . 9.9 t -54.4 -11.36 0.51 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 171.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -106.96 -44.58 4.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.287 1.435 . . . . 0.0 110.853 166.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 126.83 2.052 . . . . 0.0 114.79 -178.071 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -148.72 -172.02 4.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 131.237 3.815 . . . . 0.0 106.672 -174.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.415 ' CD ' HH22 ' A' ' 17' ' ' ARG . 32.3 tt0 -60.36 -53.68 54.75 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 123.367 2.803 . . . . 0.0 110.114 167.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -46.76 84.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.193 0.597 . . . . 0.0 111.579 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -74.31 -33.45 63.19 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.748 -1.12 . . . . 0.0 112.239 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.28 -23.64 54.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.826 1.648 . . . . 0.0 112.188 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.27 91.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.211 0.914 . . . . 0.0 111.053 165.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.497 ' HA ' HD12 ' B' ' 11' ' ' ILE . 69.1 mtm -65.92 -28.24 68.78 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 0.0 113.372 163.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.73 39.31 Favored Glycine 0 C--O 1.217 -0.908 0 CA-C-O 117.765 -1.575 . . . . 0.0 111.613 160.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -65.23 -32.11 73.61 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.061 1.931 . . . . 0.0 112.779 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 8' ' ' MET . 42.6 mt -71.62 -49.79 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.298 -0.876 . . . . 0.0 110.833 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.87 -33.22 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.593 1.557 . . . . 0.0 110.53 170.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.78 -38.78 73.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.865 1.266 . . . . 0.0 112.808 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -61.14 -32.8 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.945 1.248 . . . . 0.0 111.199 168.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 35.1 t80 -65.18 -50.16 67.02 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.163 -0.961 . . . . 0.0 111.029 163.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -66.52 -2.06 4.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.945 2.098 . . . . 0.0 116.264 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -54.72 11.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.631 1.972 . . . . 0.0 109.569 160.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.15 -68.96 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.454 1.502 . . . . 0.0 110.761 -165.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.496 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 43.9 m . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 119.668 3.21 . . . . 0.0 119.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.94 77.23 0.22 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 160.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -60.45 153.76 22.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 149.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -51.53 -27.31 10.39 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.219 1.808 . . . . 0.0 113.129 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.09 -24.89 53.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.779 1.181 . . . . 0.0 115.088 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.64 -45.88 12.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.073 1.436 . . . . 0.0 109.932 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' C ' ' B' ' 33' ' ' LEU . 6.3 tt -54.72 -33.38 61.0 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.15 1.78 . . . . 0.0 114.409 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -59.63 -48.57 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.51 -1.369 . . . . 0.0 113.614 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.23 -11.04 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.457 1.903 . . . . 0.0 112.269 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.39 -40.17 62.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 111.594 162.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mmm -67.77 -48.02 67.57 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.532 1.06 . . . . 0.0 112.434 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.84 7.19 0.13 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.486 2.714 . . . . 0.0 114.213 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -147.18 -56.83 0.25 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 129.363 3.065 . . . . 0.0 108.938 -158.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.18 -13.33 15.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.0 39.41 0.48 Allowed Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -35.59 131.85 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.829 3.02 . . . . 0.0 116.287 162.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -32.4 7.41 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.562 1.553 . . . . 0.0 113.732 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.52 -17.42 62.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.83 1.315 . . . . 0.0 111.593 161.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -68.14 -3.76 11.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.497 1.919 . . . . 0.0 113.942 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -53.59 -26.67 22.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.442 1.097 . . . . 0.0 112.844 163.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -105.81 -32.91 8.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.991 1.316 . . . . 0.0 112.615 169.568 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.77 0.69 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.429 1.966 . . . . 0.0 116.103 167.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.72 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.222 1.809 . . . . 0.0 113.059 168.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 p30 41.41 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 131.632 3.973 . . . . 0.0 119.205 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER 71.89 -7.01 1.35 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.962 2.505 . . . . 0.0 114.282 -174.554 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 -12.32 8.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.954 1.702 . . . . 0.0 114.808 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' B' ' 47' ' ' SER . . . -104.77 -46.26 4.36 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.561 1.528 . . . . 0.0 113.218 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.11 -31.25 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 161.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.51 -22.57 62.62 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.092 1.757 . . . . 0.0 114.412 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.88 -34.3 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.558 1.527 . . . . 0.0 110.662 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.426 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.6 mm? -65.44 -9.25 23.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.124 0.57 . . . . 0.0 112.233 158.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -85.96 -73.79 0.44 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.985 1.314 . . . . 0.0 109.796 159.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -47.49 -35.35 8.61 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.423 3.489 . . . . 0.0 115.454 -168.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.43 -53.57 55.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.375 0.67 . . . . 0.0 111.786 171.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.641 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -83.98 -46.47 12.03 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.904 1.681 . . . . 0.0 112.059 -174.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -29.02 -37.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 131.583 3.953 . . . . 0.0 114.936 168.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.97 -24.8 7.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.575 1.55 . . . . 0.0 115.101 171.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -6.24 58.45 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.654 1.982 . . . . 0.0 111.473 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.23 -72.13 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 CA-C-N 120.074 1.306 . . . . 0.0 114.832 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.34 -60.82 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.415 1.086 . . . . 0.0 111.786 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 149.53 -46.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 130.531 3.532 . . . . 0.0 109.298 -158.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -63.5 89.79 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.391 0.677 . . . . 0.0 110.497 157.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.414 HG11 HD12 ' B' ' 61' ' ' LEU . 2.3 t -73.03 114.96 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.816 1.646 . . . . 0.0 113.187 -171.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.69 167.85 18.98 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.909 2.483 . . . . 0.0 113.649 166.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -62.77 -33.99 76.31 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.909 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -61.9 -46.05 91.08 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.734 1.152 . . . . 0.0 111.232 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.74 -52.31 66.22 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.133 1.373 . . . . 0.0 109.929 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.24 -60.2 3.97 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.388 0.675 . . . . 0.0 112.256 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.625 HG12 HG21 ' A' ' 82' ' ' THR . 9.5 tp -57.3 -40.23 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.596 1.089 . . . . 0.0 112.837 -175.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.13 -47.52 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.44 0.696 . . . . 0.0 111.081 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.13 -14.94 54.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.446 HG12 ' SD ' ' A' ' 8' ' ' MET . 67.9 t -62.2 -34.22 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 120.139 1.336 . . . . 0.0 109.424 162.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 0.3 7.55 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 166.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 -47.5 5.84 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.535 1.061 . . . . 0.0 110.315 158.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -31.16 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.451 1.9 . . . . 0.0 111.183 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.472 HG21 HG12 ' A' ' 75' ' ' ILE . 6.5 t -55.23 -24.53 28.01 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.594 1.558 . . . . 0.0 114.118 172.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 81.1 p -89.45 -43.37 10.9 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.521 1.528 . . . . 0.0 110.816 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.572 0 O-C-N 121.271 -0.893 . . . . 0.0 112.858 173.318 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.498 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 24.9 ttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.3 p -149.67 -175.28 4.96 Favored 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.525 4.33 . . . . 0.0 106.746 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.53 -29.18 58.45 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 123.323 2.783 . . . . 0.0 111.861 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -99.45 -42.37 6.98 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 126.45 1.9 . . . . 0.0 109.992 -166.227 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.3 mt-10 -67.7 -17.82 64.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.356 162.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 -31.95 25.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.681 1.582 . . . . 0.0 112.328 167.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.94 88.65 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.118 1.326 . . . . 0.0 110.779 163.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.524 ' SD ' HG12 ' B' ' 78' ' ' VAL . 74.7 mtm -64.47 -35.2 80.17 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 165.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.54 -36.06 17.18 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 117.598 -1.668 . . . . 0.0 112.69 164.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.8 mtt -73.16 -18.67 61.25 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.106 1.953 . . . . 0.0 113.406 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.321 0.2 OUTLIER -111.03 -21.31 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.724 1.147 . . . . 0.0 113.493 -176.753 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -63.09 -36.86 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 110.271 145.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.75 -51.01 68.81 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 116.802 -1.571 . . . . 0.0 109.841 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.31 -50.23 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 120.936 1.698 . . . . 0.0 111.481 171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.41 -43.63 83.89 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.651 1.114 . . . . 0.0 113.866 170.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 m -67.03 -14.5 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.767 2.027 . . . . 0.0 113.518 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mtm-85 -89.85 -43.31 10.71 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.952 1.701 . . . . 0.0 110.957 169.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.62 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -98.32 -23.28 15.69 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -168.394 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 p -82.71 -22.7 34.38 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.67 0.388 . . . . 0.0 111.652 148.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.61 -5.96 48.97 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.205 1.383 . . . . 0.0 115.655 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.481 1.1 1 C-N-CA 132.042 4.137 . . . . 0.0 106.784 -164.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.26 125.09 47.25 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.002 1.273 . . . . 0.0 111.566 162.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -70.68 158.28 36.51 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.303 1.049 . . . . 0.0 111.609 156.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -50.84 -33.05 22.15 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.065 2.546 . . . . 0.0 114.079 -175.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -93.62 -20.05 32.99 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.494 1.045 . . . . 0.0 115.256 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -74.7 -42.95 57.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.083 1.353 . . . . 0.0 109.309 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.79 -50.42 60.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.522 2.329 . . . . 0.0 113.649 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -29.94 70.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -164.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -61.34 -27.49 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.224 0.92 . . . . 0.0 112.605 -173.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 18' ' ' TYR . 15.3 tp -72.0 -39.33 69.31 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.561 1.945 . . . . 0.0 112.435 174.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtt -79.62 -16.02 56.58 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.886 -0.509 . . . . 0.0 112.114 -157.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -59.54 -32.23 70.14 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.324 1.049 . . . . 0.0 112.154 161.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -100.0 -54.85 2.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.71 2.004 . . . . 0.0 109.922 -167.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 36' ' ' LEU . 32.0 mm-40 -102.87 -19.37 14.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.466 1.106 . . . . 0.0 113.57 -168.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -134.17 45.53 1.57 Allowed Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.45 153.65 40.12 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 121.408 1.539 . . . . 0.0 112.133 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 -34.38 4.99 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.518 1.056 . . . . 0.0 112.963 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -74.14 -7.25 51.94 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.967 1.383 . . . . 0.0 112.095 164.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -0.94 57.64 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.683 2.393 . . . . 0.0 114.327 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -68.09 -15.73 63.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.93 0.787 . . . . 0.0 112.004 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -94.32 -55.79 3.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.732 1.613 . . . . 0.0 110.66 156.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.21 -23.11 0.2 Allowed Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.328 1.918 . . . . 0.0 116.029 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -159.43 -44.06 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.545 2.738 . . . . 0.0 110.925 157.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 51' ' ' LYS 0.259 0.6 OUTLIER 19.23 -72.31 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.144 3.778 . . . . 0.0 115.339 -163.596 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -161.0 -18.29 0.05 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 131.185 3.794 . . . . 0.0 110.478 158.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' H ' ' H ' ' A' ' 51' ' ' LYS . 48.9 m-20 -109.42 -147.76 0.42 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 128.435 2.694 . . . . 0.0 110.311 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 41.39 -71.31 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 131.021 3.728 . . . . 0.0 117.24 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.3 -35.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.135 1.374 . . . . 0.0 110.899 163.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 28.0 t70 -67.13 -25.35 66.14 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 125.871 1.668 . . . . 0.0 114.253 169.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -94.77 -38.42 10.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.735 1.152 . . . . 0.0 110.836 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.29 -6.86 0.47 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.001 1.32 . . . . 0.0 113.524 157.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -99.23 -79.37 0.48 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.465 1.906 . . . . 0.0 109.443 159.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -39.88 14.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.406 2.282 . . . . 0.0 115.973 -170.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.333 0.969 . . . . 0.0 110.663 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.43 -43.43 8.75 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.319 1.847 . . . . 0.0 112.172 178.74 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -6.79 1.91 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.237 1.415 . . . . 0.0 113.274 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.59 -25.35 2.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.56 1.144 . . . . 0.0 113.479 159.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -80.01 -16.51 54.99 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.871 1.268 . . . . 0.0 113.723 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.21 -97.18 0.73 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.967 1.746 . . . . 0.0 112.332 -170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.8 -84.55 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.492 1.117 . . . . 0.0 110.329 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.8 25.91 1.42 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.019 1.727 . . . . 0.0 112.59 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -138.93 102.0 4.44 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.237 1.015 . . . . 0.0 112.293 168.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -65.14 109.47 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 128.555 2.742 . . . . 0.0 115.769 -166.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.24 164.93 24.7 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.202 1.401 . . . . 0.0 113.643 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -61.38 -33.57 73.88 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.719 -1.238 . . . . 0.0 113.694 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -60.4 -46.68 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.057 1.343 . . . . 0.0 110.099 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.1 mt-10 -67.47 -49.17 64.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 127.556 2.343 . . . . 0.0 108.493 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.17 -60.79 2.89 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 117.963 -1.017 . . . . 0.0 112.122 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.405 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -57.99 -41.79 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 120.054 1.297 . . . . 0.0 112.452 -173.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.44 -50.85 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.877 0.871 . . . . 0.0 111.259 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -80.68 -16.61 53.51 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' B' ' 8' ' ' MET . 48.6 t -56.32 -37.87 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 120.869 1.668 . . . . 0.0 109.675 163.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -9.77 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 169.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.79 -44.97 11.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 110.743 161.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.23 -44.55 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.956 2.103 . . . . 0.0 111.155 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t -51.59 -50.75 59.55 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.917 0.781 . . . . 0.0 111.271 170.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 p -68.85 -16.24 63.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.538 0 O-C-N 121.238 -0.914 . . . . 0.0 110.546 165.608 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.449 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -140.21 -110.15 0.15 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.466 1.106 . . . . 0.0 112.673 -160.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -123.39 -49.89 1.9 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.72 2.008 . . . . 0.0 107.508 157.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.85 -58.43 4.38 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.444 1.097 . . . . 0.0 111.312 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 88.6 mt-10 -72.35 -31.37 65.57 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.181 -0.949 . . . . 0.0 112.021 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.85 -34.59 51.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.117 0.871 . . . . 0.0 112.83 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.42 79.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.619 160.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 78' ' ' VAL 0.255 1.3 ttt -66.92 -25.3 66.3 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 170.538 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.48 -30.18 33.23 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.913 1.245 . . . . 0.0 113.673 160.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 13' ' ' ASP . 33.1 mtt -82.96 -13.38 56.11 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.698 1.999 . . . . 0.0 114.244 175.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.289 0.0 OUTLIER -106.15 -23.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 120.24 1.382 . . . . 0.0 113.009 169.8 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.52 -29.34 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 118.821 0.737 . . . . 0.0 109.624 150.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' B' ' 10' ' ' MET . 2.1 t70 -64.57 -22.09 66.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 173.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.73 -37.09 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.804 1.184 . . . . 0.0 110.55 167.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -80.09 -1.65 40.97 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.478 1.111 . . . . 0.0 113.027 168.779 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -101.32 -7.94 22.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.19 1.396 . . . . 0.0 112.818 165.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -71.59 0.44 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.968 1.707 . . . . 0.0 111.181 175.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -83.28 -85.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.31 0.504 . . . . 0.0 110.686 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 125.038 1.335 . . . . 0.0 113.163 -178.034 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.8 mp -83.13 106.21 14.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.647 1.112 . . . . 0.0 108.713 158.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -78.0 153.95 31.93 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.338 -0.851 . . . . 0.0 110.614 157.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -51.41 -38.14 52.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.276 1.83 . . . . 0.0 113.127 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.47 -17.19 80.13 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.481 -1.177 . . . . 0.0 114.681 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -97.36 -44.18 6.99 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.094 1.447 . . . . 0.0 110.028 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -39.79 -52.87 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 128.858 2.863 . . . . 0.0 112.704 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -49.26 -41.39 37.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -69.69 -28.18 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.484 1.114 . . . . 0.0 111.804 -171.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -70.54 -43.81 68.78 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.199 2.199 . . . . 0.0 110.827 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 32.1 mmt -61.79 -36.3 80.67 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.933 0.893 . . . . 0.0 112.569 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.47 -33.95 46.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.97 1.308 . . . . 0.0 112.819 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.82 -43.29 6.81 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.069 1.748 . . . . 0.0 109.802 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -110.04 -17.16 13.65 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.131 0.973 . . . . 0.0 113.542 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -135.18 41.5 0.64 Allowed Pre-proline 0 CA--C 1.575 1.909 0 C-N-CA 127.32 2.248 . . . . 0.0 114.723 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -46.65 -17.93 0.44 Allowed 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 124.498 3.465 . . . . 0.0 119.506 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.99 -16.16 80.87 Favored Glycine 0 N--CA 1.471 0.97 0 O-C-N 120.392 -1.443 . . . . 0.0 114.978 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -98.76 -8.21 26.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -6.8 56.78 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.553 1.941 . . . . 0.0 113.486 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -66.77 -23.25 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.251 168.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 0.6 OUTLIER -88.84 -49.77 6.62 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.455 1.502 . . . . 0.0 111.292 158.219 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.69 -47.75 3.34 Favored Glycine 0 N--CA 1.469 0.889 0 CA-C-O 118.241 -1.311 . . . . 0.0 115.022 170.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER 146.29 101.06 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 1 C-N-CA 132.848 4.459 . . . . 0.0 112.687 166.317 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.68 68.61 1.5 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 157.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER 46.57 5.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.827 2.851 . . . . 0.0 116.467 -168.224 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 30.8 p-10 -83.42 -80.0 0.19 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.929 2.492 . . . . 0.0 110.589 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -100.42 -176.78 3.31 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.336 1.454 . . . . 0.0 110.248 171.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t 60.26 -55.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.639 1.576 . . . . 0.0 110.599 -151.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -49.71 -44.98 48.61 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.525 1.93 . . . . 0.0 112.093 163.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -10.97 54.46 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.997 1.272 . . . . 0.0 114.19 175.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.62 3.25 25.91 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.339 -0.851 . . . . 0.0 110.665 161.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.51 -70.13 0.82 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.043 2.137 . . . . 0.0 109.578 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -38.11 3.77 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 129.106 2.963 . . . . 0.0 115.181 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -41.66 96.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.332 1.453 . . . . 0.0 112.906 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -98.2 -39.88 8.65 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.999 2.12 . . . . 0.0 112.881 -174.545 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.12 -34.66 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 1 C-N-CA 131.869 4.067 . . . . 0.0 113.843 163.254 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.78 -28.82 1.66 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.275 1.83 . . . . 0.0 115.423 170.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -82.71 -20.1 36.72 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.49 1.041 . . . . 0.0 112.571 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.39 -86.01 0.58 Allowed Glycine 0 C--N 1.342 0.872 0 C-N-CA 124.127 0.87 . . . . 0.0 112.734 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -161.73 -41.44 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.834 1.654 . . . . 0.0 112.035 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 169.32 -39.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 131.115 3.766 . . . . 0.0 110.156 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.73 93.42 3.11 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.534 1.159 . . . . 0.0 110.399 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.08 108.43 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 128.052 2.541 . . . . 0.0 112.548 -171.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.01 165.29 11.22 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.833 0.853 . . . . 0.0 112.6 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -56.43 -32.53 64.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 112.41 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -63.7 -52.53 60.15 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.079 1.352 . . . . 0.0 110.089 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.53 -46.27 89.17 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.891 1.676 . . . . 0.0 109.33 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.16 -62.9 1.36 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.086 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 75' ' ' ILE . 6.8 tp -59.73 -39.07 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 119.715 1.143 . . . . 0.0 113.007 -174.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.01 -47.94 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.45 1.1 . . . . 0.0 111.637 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -89.89 -14.84 33.39 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' SD ' ' A' ' 8' ' ' MET . 56.1 t -55.23 -46.19 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 120.016 1.28 . . . . 0.0 108.941 160.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.53 30.39 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.87 16.47 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.855 1.207 . . . . 0.0 111.995 166.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -47.69 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 127.332 2.253 . . . . 0.0 110.503 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.405 HG21 HG12 ' A' ' 75' ' ' ILE . 4.1 t -51.31 -54.22 28.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.538 170.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -53.63 -47.99 69.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.177 0.899 . . . . 0.0 111.38 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.7 p -146.79 -165.45 2.24 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.039 2.936 . . . . 0.0 109.471 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -54.33 -59.71 4.31 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.753 2.07 . . . . 0.0 110.145 165.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' B' ' 11' ' ' ILE . 8.4 tt -42.79 -67.48 0.27 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 128.026 2.531 . . . . 0.0 111.121 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 56.3 mt-10 -74.51 -32.72 62.59 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.44 -166.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.11 -38.95 51.17 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 119.82 1.191 . . . . 0.0 111.451 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.21 80.55 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 117.722 -1.132 . . . . 0.0 110.329 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.335 1.3 ttt -75.52 -2.04 27.1 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.42 62.26 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 118.008 -1.44 . . . . 0.0 112.219 154.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.4 mtp -62.03 -37.42 84.85 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.418 2.109 . . . . 0.0 113.547 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -80.9 -16.52 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.845 -1.159 . . . . 0.0 112.863 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.32 -36.45 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.803 1.183 . . . . 0.0 110.191 155.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.44 -36.83 66.96 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 119.675 1.125 . . . . 0.0 111.432 173.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -34.15 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 121.254 1.843 . . . . 0.0 113.296 172.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.44 -39.07 85.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.557 0.743 . . . . 0.0 110.45 170.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -26.54 68.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.816 1.647 . . . . 0.0 114.316 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . 16.3 mmt85 -75.19 -56.71 4.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.271 1.396 . . . . 0.0 110.563 169.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 98.6 m-85 -107.87 -19.11 13.63 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -161.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 p -82.32 -24.74 34.46 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.449 1.477 . . . . 0.0 109.484 148.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.23 62.99 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 120.637 -1.289 . . . . 0.0 114.885 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.483 1.224 1 C-N-CA 132.085 4.154 . . . . 0.0 108.248 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.677 -1.154 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.67 106.54 18.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.536 1.534 . . . . 0.0 109.589 161.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -71.1 160.39 32.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.664 0.665 . . . . 0.0 110.858 160.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -49.85 -39.74 40.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.401 1.48 . . . . 0.0 112.276 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.48 81.1 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.191 1.377 . . . . 0.0 115.626 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -102.94 -50.35 3.54 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.959 2.504 . . . . 0.0 108.725 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tt -42.64 -40.89 2.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.966 2.907 . . . . 0.0 113.151 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -59.25 -36.19 75.06 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.83 -32.33 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.453 1.101 . . . . 0.0 111.498 -169.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.35 -34.03 77.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.698 3.199 . . . . 0.0 112.397 170.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 mmt -79.85 -32.6 40.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 113.037 -161.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.83 -23.42 65.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.21 1.004 . . . . 0.0 112.596 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -107.5 -55.16 2.38 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.461 1.904 . . . . 0.0 109.906 -164.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -109.58 -8.29 15.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.665 1.186 . . . . 0.0 113.337 -168.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.36 32.29 0.22 Allowed Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 168.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -46.96 117.55 2.24 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.57 2.18 . . . . 0.0 113.611 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.5 -39.77 1.73 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.203 1.382 . . . . 0.0 113.244 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.88 -19.15 65.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.332 1.566 . . . . 0.0 111.629 161.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -8.77 9.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.956 2.503 . . . . 0.0 113.855 168.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.38 -20.06 65.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.376 0.989 . . . . 0.0 112.464 162.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -111.73 -47.05 3.18 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.385 1.074 . . . . 0.0 110.311 167.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.53 -31.37 0.22 Allowed Glycine 0 N--CA 1.473 1.141 0 C-N-CA 126.594 2.045 . . . . 0.0 117.858 161.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 -74.54 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.004 2.122 . . . . 0.0 109.438 167.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.87 -76.78 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.329 1.852 . . . . 0.0 111.584 -165.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.57 -26.65 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 1 C-N-CA 134.408 5.083 . . . . 0.0 109.56 172.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -103.26 1.44 32.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.204 2.602 . . . . 0.0 113.752 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.47 165.61 12.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.288 1.404 . . . . 0.0 110.406 162.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t 60.41 -49.75 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.619 1.168 . . . . 0.0 110.138 -149.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.83 -40.12 20.33 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.216 3.006 . . . . 0.0 115.065 163.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -93.86 -9.21 38.05 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.003 1.274 . . . . 0.0 112.896 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.41 4.78 26.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.75 0.82 . . . . 0.0 110.602 160.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.06 -68.37 0.92 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.958 2.903 . . . . 0.0 108.674 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -31.39 10.26 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.637 2.775 . . . . 0.0 115.287 -176.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.29 -43.56 94.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.241 1.016 . . . . 0.0 112.037 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.9 -43.28 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.824 1.649 . . . . 0.0 112.402 -174.52 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -24.34 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.763 4.425 . . . . 0.0 115.787 167.773 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.16 6.37 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.12 -8.66 57.7 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.169 1.788 . . . . 0.0 111.832 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.39 -70.75 0.01 OUTLIER Glycine 0 C--N 1.343 0.945 0 CA-C-N 120.626 1.557 . . . . 0.0 114.672 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -155.64 -63.07 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 148.2 -51.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.801 3.241 . . . . 0.0 108.419 -156.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.28 93.2 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 154.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.29 106.61 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.835 2.454 . . . . 0.0 112.099 -166.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 165.88 4.98 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.782 2.033 . . . . 0.0 113.327 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -60.66 -33.37 72.71 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.505 1.122 . . . . 0.0 112.475 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.2 p -65.28 -54.83 23.36 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.849 0.86 . . . . 0.0 110.551 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.98 -50.76 45.8 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.436 1.494 . . . . 0.0 110.264 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 78' ' ' VAL . 40.4 t80 -57.26 -64.01 1.03 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.984 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.429 HG12 HG21 ' B' ' 82' ' ' THR . 8.6 tp -59.51 -34.53 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.208 1.367 . . . . 0.0 113.419 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -49.59 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.754 0.822 . . . . 0.0 111.316 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -82.78 -16.67 46.96 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CE2' ' A' ' 74' ' ' PHE . 37.4 t -56.91 -48.75 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.49 1.041 . . . . 0.0 109.481 161.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.98 -12.11 4.19 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -40.08 13.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.166 1.348 . . . . 0.0 111.999 163.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.59 -41.27 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 127.657 2.383 . . . . 0.0 112.556 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.4 t -60.69 -7.67 2.41 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.8 p -113.22 -29.73 7.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.785 1.634 . . . . 0.0 112.082 167.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -168.413 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 29.9 p -78.75 -173.62 3.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.336 3.455 . . . . 0.0 112.803 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.28 -49.33 64.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.987 1.721 . . . . 0.0 110.088 170.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -87.51 -26.1 23.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -172.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 2' ' ' THR . 96.7 mt-10 -71.38 -26.32 62.74 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.608 163.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.62 60.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.846 1.657 . . . . 0.0 111.828 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.4 81.64 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.729 0.695 . . . . 0.0 110.079 163.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.437 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -64.71 -32.07 73.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 168.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.05 -53.94 5.38 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-O 117.825 -1.542 . . . . 0.0 110.347 159.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 70.2 mtp -56.74 -44.42 81.66 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.773 1.787 . . . . 0.0 113.778 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LEU 0.304 0.0 OUTLIER -79.38 -22.19 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 121.015 1.734 . . . . 0.0 115.376 178.351 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.05 -27.82 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.253 0.933 . . . . 0.0 110.18 160.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -85.23 -32.59 22.53 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.936 1.294 . . . . 0.0 113.56 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 34.4 m -62.16 -24.56 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 121.282 1.855 . . . . 0.0 111.715 163.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -78.82 -38.3 38.52 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.446 -0.784 . . . . 0.0 111.432 166.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -72.94 0.63 10.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.864 1.666 . . . . 0.0 114.905 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -59.92 2.54 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.552 1.941 . . . . 0.0 108.963 158.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -100.84 -20.85 15.32 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -162.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.473 0.694 0 O-C-N 121.169 -0.957 . . . . 0.0 112.228 154.505 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.482 0.658 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mp -86.56 104.39 15.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.422 1.489 . . . . 0.0 108.662 153.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -72.08 153.78 41.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 155.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -46.68 -37.72 8.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.02 2.128 . . . . 0.0 113.199 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.28 -21.77 69.41 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.859 -0.967 . . . . 0.0 114.962 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -84.59 -53.16 5.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.849 1.26 . . . . 0.0 109.106 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.0 tt -37.6 -45.4 0.76 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 128.357 2.663 . . . . 0.0 113.141 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -53.63 -40.48 65.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.829 1.195 . . . . 0.0 114.12 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 t -72.02 -29.98 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.997 0.817 . . . . 0.0 111.563 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.21 -38.06 89.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.407 2.283 . . . . 0.0 112.237 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 18.5 mmt -66.04 -37.19 85.23 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.066 0.848 . . . . 0.0 112.032 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -52.99 -30.05 32.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.476 1.11 . . . . 0.0 113.019 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -97.97 -46.09 6.03 Favored 'General case' 0 C--O 1.227 -0.124 0 C-N-CA 126.583 1.953 . . . . 0.0 110.305 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -120.67 -9.36 9.37 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -163.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.31 58.97 23.71 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 119.455 1.025 . . . . 0.0 111.918 155.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 165.15 2.03 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.076 2.517 . . . . 0.0 111.526 163.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.95 -47.9 1.95 Allowed Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.796 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.42 -26.11 62.92 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.73 2.265 . . . . 0.0 111.264 167.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -2.81 0.16 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.149 2.179 . . . . 0.0 114.008 167.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -53.44 -29.16 33.97 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.116 1.326 . . . . 0.0 112.667 159.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -91.73 -38.72 12.23 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.526 1.131 . . . . 0.0 112.629 166.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.51 -80.35 0.31 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.148 1.356 . . . . 0.0 111.619 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.97 119.34 4.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.912 1.285 . . . . 0.0 110.358 158.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -143.04 10.35 1.74 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.88 2.472 . . . . 0.0 111.445 -172.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.379 0.0 OUTLIER 53.87 7.0 0.1 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.15 3.38 . . . . 0.0 116.478 -162.097 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.77 -16.54 14.64 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.09 1.356 . . . . 0.0 111.535 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.01 -177.14 4.25 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.086 2.555 . . . . 0.0 109.981 152.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 56.9 -58.77 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 126.964 2.106 . . . . 0.0 112.239 -156.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.32 -33.94 63.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.34 1.456 . . . . 0.0 112.371 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.69 -14.09 25.16 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -1.62 28.08 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.071 0.948 . . . . 0.0 110.088 162.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -113.74 -63.04 1.5 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.82 2.848 . . . . 0.0 110.045 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -50.23 -29.75 10.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.383 1.873 . . . . 0.0 114.827 -172.301 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.77 -10.58 59.96 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.308 1.443 . . . . 0.0 114.23 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.641 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -134.78 -29.83 1.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.976 2.111 . . . . 0.0 113.088 -173.538 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS 0.255 2.5 t0 -42.62 -14.06 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 1 C-N-CA 132.292 4.237 . . . . 0.0 115.048 156.96 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.15 -28.27 0.28 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.219 1.407 . . . . 0.0 113.398 155.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.04 -47.22 87.39 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.82 2.448 . . . . 0.0 115.45 166.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.51 40.4 0.16 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -151.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p30 58.61 -30.52 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 131.519 3.928 . . . . 0.0 119.722 162.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.68 4.29 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.776 2.831 . . . . 0.0 113.887 168.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -128.35 99.6 5.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.557 1.543 . . . . 0.0 110.231 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.564 HG11 HD12 ' B' ' 61' ' ' LEU . 17.2 t -81.19 121.83 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.046 2.538 . . . . 0.0 112.102 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -73.63 164.81 26.15 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 120.422 1.465 . . . . 0.0 113.744 165.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -56.15 -43.23 78.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.374 1.869 . . . . 0.0 114.015 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -55.12 -31.52 61.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 112.3 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.18 -40.24 9.69 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -160.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -50.42 -48.14 56.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.252 153.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.307 1.4 tp -64.25 -32.44 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 120.666 1.575 . . . . 0.0 113.798 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.01 -46.49 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 120.213 1.369 . . . . 0.0 111.385 168.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' PHE . . . . . 0.641 ' CG ' HD22 ' B' ' 61' ' ' LEU . 49.0 t80 -58.85 -47.48 84.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.562 0.619 . . . . 0.0 111.89 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.42 -31.58 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.155 0.582 . . . . 0.0 111.103 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.15 -2.59 31.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.11 -45.86 8.85 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.213 0.915 . . . . 0.0 110.734 153.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 mm -54.87 -38.27 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.142 1.777 . . . . 0.0 113.354 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.429 HG21 HG12 ' A' ' 75' ' ' ILE . 13.3 t -38.82 -31.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.002 1.721 . . . . 0.0 114.127 164.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 72.1 p -103.62 -47.69 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.962 2.105 . . . . 0.0 113.088 167.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -170.187 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -170.02 0.24 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.466 1.907 . . . . 0.0 113.199 162.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.96 -57.72 10.5 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.416 1.462 . . . . 0.0 113.109 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD13 HG13 ' B' ' 78' ' ' VAL . 4.3 pp -57.96 -47.83 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.401 1.096 . . . . 0.0 110.499 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.53 -29.41 70.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.353 -0.842 . . . . 0.0 113.199 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -41.62 41.56 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.462 2.305 . . . . 0.0 112.246 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.523 ' HB3' HG23 ' B' ' 11' ' ' ILE . . . -55.28 -50.83 68.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.706 0.684 . . . . 0.0 111.194 169.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.529 ' HG3' HG21 ' B' ' 11' ' ' ILE . 15.3 mtm -59.66 -38.39 81.34 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 170.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.42 -46.71 11.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 118.25 -1.306 . . . . 0.0 113.407 165.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mtt -76.27 -19.93 57.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.243 1.522 . . . . 0.0 114.132 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.556 ' CG2' HG21 ' A' ' 78' ' ' VAL . 45.4 mt -80.81 -45.15 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 119.99 1.268 . . . . 0.0 110.076 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.34 -39.89 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.312 1.445 . . . . 0.0 109.916 162.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.22 -55.82 27.77 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.93 -1.509 . . . . 0.0 111.695 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -45.61 -52.89 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 120.594 1.543 . . . . 0.0 110.332 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.25 -42.68 73.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 m -71.45 -6.11 37.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.634 1.974 . . . . 0.0 114.35 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -91.27 -41.04 11.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.39 1.476 . . . . 0.0 111.075 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -97.31 -45.95 6.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.776 0.83 . . . . 0.0 113.219 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 p -66.15 -20.57 66.18 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.432 -1.417 . . . . 0.0 110.609 155.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 -12.4 4.25 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.615 2.055 . . . . 0.0 116.529 160.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m 131.26 -66.03 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.75 1 C-N-CA 132.333 4.253 . . . . 0.0 106.922 -163.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -140.99 149.9 42.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.266 2.226 . . . . 0.0 108.666 164.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.81 20.31 0.68 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 123.985 0.802 . . . . 0.0 113.369 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.62 -20.86 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.023 1.729 . . . . 0.0 113.758 -157.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t 95.2 172.95 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.981 2.113 . . . . 0.0 108.161 -112.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.292 5.1 pt20 -88.52 65.21 7.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.36 -1.462 . . . . 0.0 112.576 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -143.13 159.48 42.21 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 126.205 1.802 . . . . 0.0 110.624 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.26 109.42 13.58 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 152.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -65.58 156.82 31.53 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.707 149.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -43.35 -40.1 3.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.168 2.187 . . . . 0.0 112.923 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.67 -18.64 78.8 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 118.327 -1.263 . . . . 0.0 114.976 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -86.48 -55.59 3.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.154 1.477 . . . . 0.0 109.245 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -35.74 -39.81 0.16 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.438 2.695 . . . . 0.0 114.246 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -58.52 -37.97 76.75 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.722 1.147 . . . . 0.0 111.526 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.68 -42.17 98.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 130.75 3.62 . . . . 0.0 111.917 165.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.1 mmm -62.57 -47.61 83.08 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 66.6 mt-10 -59.71 -16.5 27.54 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.168 1.387 . . . . 0.0 112.984 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -108.25 -57.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 127.711 2.404 . . . . 0.0 108.638 -170.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.0 -9.29 16.27 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -129.52 42.6 0.92 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 125.878 1.671 . . . . 0.0 114.688 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.94 144.48 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.878 2.386 . . . . 0.0 114.851 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.35 -37.22 3.3 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.766 1.174 . . . . 0.0 113.627 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -70.6 -6.82 39.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.529 1.164 . . . . 0.0 112.03 165.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' GLU . 33.7 mt -80.45 9.95 5.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.958 2.903 . . . . 0.0 114.041 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -53.09 -32.39 46.95 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.525 1.057 . . . . 0.0 112.915 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -95.79 -27.57 15.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.628 1.171 . . . . 0.0 113.824 163.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -31.24 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.234 1.397 . . . . 0.0 114.978 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 -57.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.03 2.132 . . . . 0.0 113.779 162.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -7.13 44.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.27 4.628 . . . . 0.0 120.013 -159.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 17.61 1.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.792 1.637 . . . . 0.0 113.521 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -116.7 -39.35 3.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 113.098 -169.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.64 -31.81 3.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.718 1.607 . . . . 0.0 112.773 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.452 HG13 HD22 ' A' ' 33' ' ' LEU . 1.5 t -53.03 -34.68 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.308 0.504 . . . . 0.0 110.093 154.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.84 -26.43 68.33 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 126.154 1.782 . . . . 0.0 114.504 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -93.93 -32.82 13.72 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.202 1.365 . . . . 0.0 111.67 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' O ' HD21 ' A' ' 61' ' ' LEU . 1.7 mm? -68.08 -5.7 19.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.98 0.912 . . . . 0.0 111.462 162.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tp -93.52 -73.34 0.57 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.3 1.84 . . . . 0.0 109.895 160.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.56 -34.93 3.61 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.293 3.037 . . . . 0.0 115.774 -169.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m-20 -56.29 -52.55 64.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.633 1.173 . . . . 0.0 112.525 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.589 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -88.35 -43.98 11.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.68 1.992 . . . . 0.0 112.498 -174.142 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -29.25 -33.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 132.183 4.193 . . . . 0.0 115.566 167.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.89 -27.77 8.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.971 1.709 . . . . 0.0 115.029 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -6.87 58.57 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.516 1.926 . . . . 0.0 111.714 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.26 -92.5 0.27 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.07 1.319 . . . . 0.0 112.237 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -159.64 -38.78 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 153.9 -8.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 131.629 3.972 . . . . 0.0 112.598 -165.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -103.64 94.0 5.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.676 1.591 . . . . 0.0 108.078 159.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.9 104.97 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 128.128 2.571 . . . . 0.0 111.496 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.7 165.65 6.27 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.112 1.765 . . . . 0.0 112.896 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -58.37 -32.96 69.06 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.033 0.933 . . . . 0.0 111.911 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -60.81 -55.14 36.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.329 1.452 . . . . 0.0 110.075 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.82 -48.83 77.1 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.868 1.267 . . . . 0.0 109.7 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.1 t80 -58.62 -60.2 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.754 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 8' ' ' MET . 10.7 tp -58.46 -41.26 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.132 1.333 . . . . 0.0 112.085 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.3 t -57.59 -49.24 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.506 1.122 . . . . 0.0 110.273 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 11.1 m-85 -80.98 -12.03 59.45 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.556 HG21 ' CG2' ' A' ' 11' ' ' ILE . 59.1 t -64.74 -35.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 121.865 2.121 . . . . 0.0 110.189 164.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.99 -2.0 22.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 165.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.55 -36.81 10.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.555 -1.341 . . . . 0.0 111.835 163.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.87 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 129.275 3.03 . . . . 0.0 110.865 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t -46.15 -54.18 9.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.191 0.997 . . . . 0.0 112.571 164.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.464 ' HA ' ' CD2' ' A' ' 86' ' ' HIS . 23.9 p -72.97 -7.55 51.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.809 1.644 . . . . 0.0 114.436 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.58 -57.32 2.92 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.901 1.28 . . . . 0.0 109.017 168.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -55.9 -38.59 70.41 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.848 0.859 . . . . 0.0 112.62 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -67.52 -9.82 45.9 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -34.85 78.68 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.492 1.496 . . . . 0.0 111.638 170.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -178.54 109.84 0.05 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 129.26 3.024 . . . . 0.0 107.423 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -96.25 -87.14 0.3 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -27.4 14.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.84 1.656 . . . . 0.0 111.219 159.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 -32.94 1.07 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.447 1.899 . . . . 0.0 115.085 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p 128.71 71.51 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 1 C-N-CA 132.044 4.138 . . . . 0.0 105.973 -157.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -22.78 -63.33 0.03 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 127.649 2.547 . . . . 0.0 117.11 -159.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.08 -3.53 13.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.589 1.556 . . . . 0.0 113.941 174.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 127.187 2.195 . . . . 0.0 110.589 -163.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 35.0 ttm . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -152.36 -170.02 3.52 Favored 'General case' 0 CA--C 1.547 0.834 1 C-N-CA 131.859 4.064 . . . . 0.0 105.908 -174.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.05 -49.59 67.12 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 122.935 2.607 . . . . 0.0 111.373 165.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 78' ' ' VAL . 6.2 tp -53.33 -42.44 66.75 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.157 1.383 . . . . 0.0 111.893 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 83.3 mt-10 -88.52 -7.91 55.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -41.17 35.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 120.788 1.631 . . . . 0.0 109.241 163.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.37 67.37 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.837 161.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.475 ' HA ' ' CD1' ' B' ' 11' ' ' ILE 0.345 0.0 OUTLIER -56.88 -37.24 71.09 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.374 1.443 . . . . 0.0 112.922 171.483 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.61 -52.26 5.44 Favored Glycine 0 C--O 1.218 -0.892 0 C-N-CA 126.107 1.813 . . . . 0.0 111.889 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' MET . . . . . 0.441 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.56 -33.9 47.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.614 1.707 . . . . 0.0 114.557 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.544 ' CG1' HD11 ' B' ' 75' ' ' ILE 0.282 0.0 OUTLIER -67.24 -38.01 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.052 1.751 . . . . 0.0 112.948 171.386 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.1 mm -69.75 -31.18 47.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-O 117.189 -1.386 . . . . 0.0 109.77 165.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.412 ' HA ' ' HB3' ' B' ' 16' ' ' SER 0.266 25.1 t70 -57.17 -45.4 83.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.973 1.715 . . . . 0.0 111.319 -171.23 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.588 HG13 HD11 ' B' ' 36' ' ' LEU . 90.2 t -45.05 -38.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.836 1.198 . . . . 0.0 112.831 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -80.5 -32.36 36.99 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.185 2.194 . . . . 0.0 113.83 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -69.02 -9.1 50.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.419 2.688 . . . . 0.0 114.0 163.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 7.5 mtm180 -94.27 -62.18 1.38 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.283 1.433 . . . . 0.0 111.129 169.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.483 ' CD1' HD13 ' B' ' 36' ' ' LEU . 1.5 m-85 -73.76 -72.89 0.24 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.0 p -63.59 19.98 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.47 1.908 . . . . 0.0 113.435 163.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.96 14.16 2.24 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 127.867 2.651 . . . . 0.0 117.718 -149.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.5 m -167.48 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.138 2.175 . . . . 0.0 106.679 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -148.55 160.52 43.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 129.731 3.212 . . . . 0.0 107.241 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.4 3.82 0.1 Allowed Glycine 0 CA--C 1.542 1.749 0 C-N-CA 126.678 2.085 . . . . 0.0 114.209 166.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.9 t -163.79 -15.29 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.138 1.375 . . . . 0.0 113.475 -151.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . 0.304 5.8 t 83.18 -163.4 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 120.652 -1.28 . . . . 0.0 109.809 -102.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.266 6.0 pt20 -111.97 61.51 0.62 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 121.145 1.793 . . . . 0.0 112.086 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -131.66 156.62 45.53 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 127.211 2.205 . . . . 0.0 109.456 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -69.19 103.3 1.89 Allowed 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 154.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -68.25 146.8 53.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 122.002 0.906 . . . . 0.0 109.159 149.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -41.31 -41.25 1.88 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.604 2.362 . . . . 0.0 113.95 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -22.99 77.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.546 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.43 -51.24 6.67 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.74 1.616 . . . . 0.0 109.921 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG13 ' B' ' 54' ' ' VAL . 3.3 tt -40.28 -49.17 2.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.999 2.12 . . . . 0.0 112.483 175.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -55.69 -18.71 8.65 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -165.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.77 -12.6 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.386 1.474 . . . . 0.0 111.515 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.588 HD11 HG13 ' B' ' 14' ' ' VAL . 27.1 tp -76.52 -43.96 37.07 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 127.09 2.156 . . . . 0.0 111.657 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 6.2 mmm -67.02 -28.97 68.67 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.592 0.757 . . . . 0.0 111.713 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -56.74 -23.42 42.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.933 1.693 . . . . 0.0 112.972 169.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -108.42 -41.78 4.76 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 126.242 1.817 . . . . 0.0 110.116 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -120.3 -5.33 9.91 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.76 44.14 1.28 Allowed Pre-proline 0 CA--C 1.566 1.572 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 163.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -40.14 -21.38 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 1 C-N-CA 126.469 4.78 . . . . 0.0 119.338 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.83 -20.29 56.14 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 120.159 1.345 . . . . 0.0 114.659 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.18 -30.71 69.88 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.316 1.558 . . . . 0.0 111.408 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -0.94 2.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.813 1.645 . . . . 0.0 113.857 -171.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -53.88 -26.99 27.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.182 1.793 . . . . 0.0 113.029 157.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -90.72 -66.22 0.95 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.651 0.781 . . . . 0.0 109.907 161.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.99 -43.41 1.69 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 115.199 0.84 . . . . 0.0 115.199 166.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -75.01 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.824 0.85 . . . . 0.0 111.876 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' B' ' 52' ' ' ASP . 8.3 m-20 65.88 0.34 1.53 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.193 2.197 . . . . 0.0 116.116 164.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER 42.59 -0.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.53 3.532 . . . . 0.0 117.081 -161.604 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' B' ' 50' ' ' ASP . 0.8 OUTLIER -124.98 -1.07 7.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 128.792 2.837 . . . . 0.0 112.833 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.34 -43.56 2.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.138 0.975 . . . . 0.0 111.835 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.527 HG13 HD22 ' B' ' 33' ' ' LEU . 0.9 OUTLIER -51.61 -34.24 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.675 0.39 . . . . 0.0 110.547 157.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.38 -20.19 65.52 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 127.976 2.51 . . . . 0.0 114.788 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -35.54 10.36 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.773 1.17 . . . . 0.0 109.45 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.435 ' O ' HD21 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.2 -0.37 1.2 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.341 1.857 . . . . 0.0 112.726 156.69 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 tp -104.84 -67.27 0.92 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.316 2.246 . . . . 0.0 108.586 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 9.8 mmtm -45.49 -28.25 0.88 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.357 2.663 . . . . 0.0 115.551 -175.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.33 -20.23 63.87 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 172.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.643 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -128.76 -29.81 2.33 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.551 2.34 . . . . 0.0 112.709 -172.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.7 OUTLIER -43.84 -14.72 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 131.997 4.119 . . . . 0.0 115.044 156.257 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.38 -31.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.04 1.736 . . . . 0.0 113.289 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.42 -42.73 95.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.457 2.303 . . . . 0.0 116.109 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.66 29.96 0.18 Allowed Glycine 0 CA--C 1.536 1.344 0 N-CA-C 116.555 1.382 . . . . 0.0 116.555 -154.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 t0 52.73 -5.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 131.287 3.835 . . . . 0.0 119.176 166.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -177.35 -4.27 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.531 2.732 . . . . 0.0 112.9 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -115.15 96.85 5.88 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 123.139 1.447 . . . . 0.0 108.717 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 HD12 ' B' ' 61' ' ' LEU . 27.2 t -78.68 115.47 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 128.34 2.656 . . . . 0.0 109.765 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.2 169.73 17.66 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.235 1.379 . . . . 0.0 113.044 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -53.29 56.53 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.894 1.678 . . . . 0.0 111.645 -177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 73' ' ' GLU . 8.8 p -65.18 3.28 0.64 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.286 2.234 . . . . 0.0 114.403 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 72' ' ' SER . 9.6 mm-40 -120.27 -50.99 2.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.331 2.252 . . . . 0.0 108.771 -170.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -46.57 -47.73 19.72 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.362 0.665 . . . . 0.0 110.282 157.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.544 HD11 ' CG1' ' B' ' 11' ' ' ILE . 2.8 tp -63.66 -34.04 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.89 -48.8 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.17 0.895 . . . . 0.0 109.711 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.643 ' CG ' HD22 ' B' ' 61' ' ' LEU . 74.7 t80 -63.28 -41.98 99.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.215 1.006 . . . . 0.0 111.779 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.496 HG13 HD13 ' A' ' 4' ' ' LEU . 76.5 t -53.35 -47.95 57.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.745 1.218 . . . . 0.0 109.875 170.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.51 2.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.62 -41.02 9.95 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.865 1.211 . . . . 0.0 111.005 153.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -58.45 -22.89 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.817 1.647 . . . . 0.0 112.495 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 14.8 t -50.58 -31.57 16.19 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.006 -1.684 . . . . 0.0 113.888 163.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -83.04 -1.56 53.02 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.258 1.023 . . . . 0.0 112.712 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.3 -29.54 10.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.583 1.953 . . . . 0.0 111.944 167.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.2 t -41.48 -47.07 3.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.539 2.335 . . . . 0.0 113.669 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -19.49 -80.38 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 129.251 3.02 . . . . 0.0 115.33 -164.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . 0.267 35.4 tttt 68.72 -36.98 0.34 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 115.411 -2.233 . . . . 0.0 114.982 -162.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.63 -27.41 0.31 Allowed 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 121.365 3.839 . . . . 0.0 121.365 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -153.46 -119.63 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 122.75 2.523 . . . . 0.0 113.084 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.43 -42.36 91.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.029 1.732 . . . . 0.0 110.134 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.563 ' CG ' ' H ' ' B' ' 92' ' ' THR 0.295 0.0 OUTLIER -124.83 -101.21 0.39 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.84 3.256 . . . . 0.0 103.275 164.321 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.563 ' H ' ' CG ' ' B' ' 91' ' ' LYS . 0.1 OUTLIER -128.14 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 128.104 2.561 . . . . 0.0 106.527 164.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.15 -12.02 48.12 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.83 0.728 . . . . 0.0 114.591 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp -110.19 9.13 23.92 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.036 1.734 . . . . 0.0 113.303 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.494 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 C-N-CA 130.885 3.674 . . . . 0.0 115.371 -168.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttm . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 p -153.76 -177.59 6.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 130.058 3.343 . . . . 0.0 106.28 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -56.7 -54.28 48.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.334 1.425 . . . . 0.0 111.238 171.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 HG22 ' B' ' 11' ' ' ILE . 4.5 tp -52.2 -50.95 60.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.437 2.295 . . . . 0.0 111.415 174.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.92 -26.23 40.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.369 1.067 . . . . 0.0 113.794 -171.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -57.69 11.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.125 0.875 . . . . 0.0 109.783 167.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.84 62.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.978 0.911 . . . . 0.0 111.661 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.507 ' SD ' HG12 ' B' ' 78' ' ' VAL . 77.7 mtm -65.13 -30.35 71.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 173.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -22.32 31.54 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.461 -1.188 . . . . 0.0 113.392 164.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.8 mtp -85.93 -24.93 26.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.719 1.759 . . . . 0.0 113.712 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -93.21 -25.98 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 120.793 -1.192 . . . . 0.0 112.77 171.231 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mt -67.87 -30.18 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 116.721 -1.609 . . . . 0.0 111.059 155.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.76 -54.66 44.42 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.384 2.356 . . . . 0.0 110.197 165.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.27 -38.44 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 119.385 0.993 . . . . 0.0 112.519 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.98 -43.31 68.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.742 1.156 . . . . 0.0 114.046 168.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -61.37 -10.66 7.74 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.314 2.245 . . . . 0.0 113.499 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH22 ' CD ' ' B' ' 3' ' ' GLU . 21.2 ttt180 -112.18 -34.66 5.86 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 131.146 3.778 . . . . 0.0 111.592 -173.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 28.4 m-85 -109.62 -10.66 14.83 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -103.07 2.37 34.68 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.11 1.323 . . . . 0.0 111.689 148.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.38 26.9 62.42 Favored Glycine 0 CA--C 1.538 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 112.228 -166.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t 69.54 -50.55 0.62 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.008 2.523 . . . . 0.0 111.744 -163.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -141.74 153.58 44.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.53 1.132 . . . . 0.0 111.837 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.79 3.67 0.03 OUTLIER Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.892 1.117 . . . . 0.0 115.892 -173.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -149.15 -0.18 0.5 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.058 2.143 . . . . 0.0 110.998 -161.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 26' ' ' GLN . 1.1 m 81.65 -161.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.985 1.714 . . . . 0.0 108.13 -117.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.453 ' H ' HG22 ' A' ' 25' ' ' THR . 14.7 pt20 -104.4 49.15 0.82 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.274 1.43 . . . . 0.0 111.422 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.2 p -145.49 129.65 17.58 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.86 1.264 . . . . 0.0 112.786 -155.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.16 103.19 0.45 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.638 1.175 . . . . 0.0 110.845 162.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -70.43 165.25 22.93 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.984 -1.072 . . . . 0.0 111.524 158.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -55.38 -31.09 61.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.673 1.589 . . . . 0.0 113.309 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 -19.15 55.23 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.969 1.271 . . . . 0.0 115.091 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -85.33 -40.57 16.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.233 2.613 . . . . 0.0 109.293 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.71 -34.2 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.068 2.947 . . . . 0.0 115.175 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.75 -41.35 68.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -165.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.75 -11.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.914 1.286 . . . . 0.0 112.113 -174.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 4.3 tp -78.73 -34.39 45.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.205 3.002 . . . . 0.0 112.137 165.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.4 mmt -71.6 -53.53 13.42 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.166 0.894 . . . . 0.0 110.926 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -48.35 -35.85 13.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.395 1.478 . . . . 0.0 112.15 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -67.86 0.76 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 129.341 3.056 . . . . 0.0 112.406 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 -4.1 20.94 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -165.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 HD13 ' B' ' 4' ' ' LEU . 5.3 mp -131.83 55.61 19.2 Favored Pre-proline 0 CA--C 1.557 1.245 0 C-N-CA 125.427 1.491 . . . . 0.0 114.321 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -39.43 154.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.334 3.356 . . . . 0.0 115.346 154.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.04 -56.86 4.62 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 124.102 0.858 . . . . 0.0 112.322 -176.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -55.76 -23.51 30.0 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.54 1.136 . . . . 0.0 112.36 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.03 -15.1 20.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.494 2.318 . . . . 0.0 114.8 170.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -60.16 -26.49 66.35 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.947 1.249 . . . . 0.0 112.539 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 m -101.69 -41.22 6.64 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.416 0.686 . . . . 0.0 110.968 162.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.59 -12.28 0.09 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 165.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.31 0.0 OUTLIER 172.12 -118.72 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 133.18 4.592 . . . . 0.0 107.403 170.06 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 55.5 m-20 49.47 33.29 5.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.641 1.977 . . . . 0.0 113.24 170.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER 49.54 -6.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.791 3.636 . . . . 0.0 117.35 -167.117 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -87.05 -22.54 25.39 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.087 1.312 . . . . 0.0 112.969 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.75 -174.59 4.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.532 1.133 . . . . 0.0 110.408 162.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.2 t 62.34 -61.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 126.618 1.967 . . . . 0.0 110.1 -162.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -55.42 -36.23 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.969 1.708 . . . . 0.0 113.511 165.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -89.75 -19.79 24.33 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.44 1.44 16.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.694 0.797 . . . . 0.0 111.344 164.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -110.26 -65.3 1.17 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 129.056 2.943 . . . . 0.0 109.201 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -27.68 24.52 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.972 2.109 . . . . 0.0 115.433 -172.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.33 -32.61 60.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.539 0.609 . . . . 0.0 111.816 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -94.61 -39.2 10.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.678 1.591 . . . . 0.0 112.527 -177.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -28.74 -35.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 132.698 4.399 . . . . 0.0 115.59 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -22.35 13.18 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.482 1.513 . . . . 0.0 114.982 171.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -11.53 53.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.84 1.656 . . . . 0.0 111.809 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.04 -74.33 0.01 OUTLIER Glycine 0 C--N 1.342 0.864 0 CA-C-N 120.685 1.584 . . . . 0.0 114.29 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.04 -62.94 0.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 144.47 -50.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.175 3.39 . . . . 0.0 107.832 -154.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.57 97.26 0.07 Allowed 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.454 -0.779 . . . . 0.0 109.358 153.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.97 101.97 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.683 1.993 . . . . 0.0 111.435 -165.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.47 162.65 4.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.908 1.683 . . . . 0.0 112.804 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.76 -33.68 68.75 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.283 -0.865 . . . . 0.0 113.073 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -63.79 -54.57 33.11 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.909 0.884 . . . . 0.0 110.545 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.62 -50.87 59.41 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.473 1.509 . . . . 0.0 110.214 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -57.81 -65.6 0.61 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.362 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.462 HG12 HG21 ' B' ' 82' ' ' THR . 7.6 tp -58.58 -35.38 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 120.363 1.438 . . . . 0.0 112.98 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.0 -53.79 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.258 1.023 . . . . 0.0 111.086 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -79.94 -15.05 58.08 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 t -55.2 -51.41 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 120.465 1.484 . . . . 0.0 108.42 161.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.94 -15.18 41.3 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.53 -38.4 23.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.218 165.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.89 -47.93 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.055 1.742 . . . . 0.0 111.018 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.424 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 14.1 t -63.34 -22.84 67.12 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 174.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -82.61 -43.09 17.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.898 1.226 . . . . 0.0 111.105 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.15 76.46 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.463 1.505 . . . . 0.0 112.416 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -73.8 0.3 13.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.358 1.463 . . . . 0.0 114.869 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.436 ' CD2' ' H ' ' A' ' 87' ' ' LYS . 1.3 p80 -53.82 -63.7 1.06 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.733 1.606 . . . . 0.0 113.64 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' H ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 mtmp? 50.19 23.34 1.15 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.991 -163.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 49.06 26.92 1.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.85 2.46 . . . . 0.0 116.576 -165.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' C ' ' H ' ' A' ' 91' ' ' LYS . 54.1 p90 -128.3 168.32 15.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.518 -1.364 . . . . 0.0 110.995 162.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 61.88 -35.88 0.11 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.266 1.826 . . . . 0.0 113.596 -162.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HE3' ' O ' ' A' ' 82' ' ' THR . 0.2 OUTLIER -105.35 -20.02 13.62 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.185 2.594 . . . . 0.0 113.193 -174.536 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.265 0.5 OUTLIER -144.73 -54.37 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.308 0.958 . . . . 0.0 113.418 169.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.8 -2.65 8.28 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 117.541 1.777 . . . . 0.0 117.541 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.21 29.74 1.06 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.305 1.442 . . . . 0.0 112.053 162.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 C-N-CA 126.892 2.077 . . . . 0.0 110.598 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 56.2 p -142.95 -102.74 0.13 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 109.792 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' CD ' HH22 ' A' ' 17' ' ' ARG . 19.0 tt0 -131.61 -52.39 1.0 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.722 2.009 . . . . 0.0 107.788 156.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 41' ' ' LEU . 4.2 tt -46.55 -50.26 17.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.081 1.353 . . . . 0.0 111.633 162.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.59 -18.36 58.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.669 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -40.92 61.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.944 1.702 . . . . 0.0 111.154 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.27 94.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.763 1.225 . . . . 0.0 110.744 166.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.7 mtm -63.56 -28.79 70.18 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 -21.08 29.33 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 118.389 -1.229 . . . . 0.0 113.112 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 37.8 mtt -88.24 -36.95 16.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.64 1.72 . . . . 0.0 112.774 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.479 HG22 HD12 ' A' ' 4' ' ' LEU 0.281 0.0 OUTLIER -77.64 -25.33 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.84 -1.162 . . . . 0.0 113.054 170.706 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mm -72.11 -34.26 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.173 160.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.55 -50.05 68.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 121.588 1.995 . . . . 0.0 110.566 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.528 ' CG1' HD21 ' B' ' 36' ' ' LEU . 43.4 t -48.81 -52.27 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.346 0.975 . . . . 0.0 111.803 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.94 -47.81 70.89 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.712 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -64.35 -10.03 21.76 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.955 2.502 . . . . 0.0 114.919 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -93.09 -63.54 1.2 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.015 0.825 . . . . 0.0 109.065 165.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.586 ' CG ' HD22 ' B' ' 36' ' ' LEU 0.261 0.2 OUTLIER -78.52 -13.4 59.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 -166.492 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.67 20.15 6.1 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.544 1.538 . . . . 0.0 111.581 157.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.68 -31.92 10.35 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.837 -0.539 . . . . 0.0 111.946 138.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -51.45 -29.29 15.69 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.174 1.79 . . . . 0.0 114.605 165.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 30.31 -116.65 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.397 1.879 . . . . 0.0 111.607 -160.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.75 -36.45 0.14 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 127.263 2.363 . . . . 0.0 117.015 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.5 t -66.59 -2.52 4.89 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 129.973 3.309 . . . . 0.0 112.501 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m 118.93 -102.83 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 135.289 5.436 . . . . 0.0 101.953 -154.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.75 38.55 2.01 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.392 1.477 . . . . 0.0 111.041 163.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p -122.29 176.31 5.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 128.068 2.547 . . . . 0.0 113.249 -166.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.95 114.49 27.15 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.672 -0.642 . . . . 0.0 110.66 158.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -62.14 147.65 46.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.9 0.857 . . . . 0.0 110.875 143.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -43.08 -34.61 1.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.716 2.806 . . . . 0.0 114.077 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.51 59.27 Favored Glycine 0 CA--C 1.533 1.201 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.212 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.52 -48.05 11.47 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.344 1.572 . . . . 0.0 109.635 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -37.67 -49.26 1.11 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.653 2.381 . . . . 0.0 114.097 -177.259 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' N ' HD23 ' B' ' 33' ' ' LEU . 17.3 pttm -49.77 -42.79 47.42 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -169.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.44 -26.83 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.238 0.926 . . . . 0.0 113.32 -167.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.586 HD22 ' CG ' ' B' ' 18' ' ' TYR . 22.5 tp -75.49 -39.34 58.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.738 1.215 . . . . 0.0 111.524 175.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.481 ' SD ' HD12 ' B' ' 57' ' ' LEU . 31.9 mmt -56.44 -31.74 64.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.23 1.012 . . . . 0.0 112.115 -169.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.82 -20.57 36.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.464 2.306 . . . . 0.0 114.187 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -113.84 -46.3 3.03 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.033 1.733 . . . . 0.0 111.074 -163.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -4.04 10.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' N ' ' CD ' ' B' ' 42' ' ' PRO . 21.4 mt -126.48 33.13 0.24 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 127.298 2.239 . . . . 0.0 114.85 167.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 41' ' ' LEU . 47.7 Cg_exo -42.27 -28.53 0.94 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.558 4.172 . . . . 0.0 119.473 -177.11 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.33 -34.18 84.49 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-N 120.475 1.488 . . . . 0.0 113.294 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' B' ' 81' ' ' ILE . 98.9 m-85 -76.05 -11.65 59.98 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.945 0.872 . . . . 0.0 113.083 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 7.15 1.03 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -45.53 -31.52 1.84 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.384 1.074 . . . . 0.0 113.72 162.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -92.05 -31.79 15.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.03 1.732 . . . . 0.0 113.701 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.41 7.81 4.5 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.616 2.055 . . . . 0.0 116.894 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.362 0.0 OUTLIER 110.22 112.75 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.605 4.762 . . . . 0.0 111.501 -179.502 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -141.98 5.66 1.73 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.912 3.285 . . . . 0.0 111.526 -164.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.402 0.0 OUTLIER 46.89 22.91 0.22 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 129.465 3.106 . . . . 0.0 115.076 -161.279 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.45 -27.93 1.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.103 1.761 . . . . 0.0 115.73 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 -40.77 5.68 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 121.691 2.042 . . . . 0.0 111.455 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.83 -29.58 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.513 0.725 . . . . 0.0 110.759 158.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.01 -25.8 56.06 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 126.253 1.821 . . . . 0.0 114.856 172.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -87.92 -39.88 14.4 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.358 1.89 . . . . 0.0 111.38 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' SD ' ' B' ' 37' ' ' MET . 0.1 OUTLIER -55.38 -10.7 0.65 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.334 2.254 . . . . 0.0 111.861 160.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.53 -62.49 1.23 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.093 2.157 . . . . 0.0 111.318 161.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -50.42 -33.0 19.26 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.567 2.347 . . . . 0.0 115.332 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.99 -8.32 48.08 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-N 119.508 1.049 . . . . 0.0 113.761 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -138.49 -34.17 0.64 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.46 1.904 . . . . 0.0 113.08 -170.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.9 OUTLIER -37.04 -27.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 130.443 3.497 . . . . 0.0 114.145 153.71 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.82 -24.49 1.45 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.321 2.249 . . . . 0.0 114.644 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -73.16 -21.8 60.63 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 171.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.08 -77.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.846 1.212 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -178.53 -50.44 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.909 1.284 . . . . 0.0 113.229 -156.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 163.53 -1.2 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 130.875 3.67 . . . . 0.0 113.047 -160.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -114.92 101.19 8.79 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.182 1.393 . . . . 0.0 111.471 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 61' ' ' LEU . 30.2 t -78.06 136.66 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.795 2.038 . . . . 0.0 112.453 -172.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -111.19 168.28 9.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.821 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 91' ' ' LYS . 19.6 p90 -58.31 -48.59 80.04 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.411 1.485 . . . . 0.0 111.387 -170.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -66.15 -6.68 14.21 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 127.28 2.232 . . . . 0.0 113.345 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.85 -48.29 3.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.377 1.471 . . . . 0.0 109.757 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' B' ' 61' ' ' LEU . 73.7 t80 -51.54 -48.25 63.1 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.572 169.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 tp -57.68 -31.03 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.76 -47.62 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 110.602 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' B' ' 61' ' ' LEU . 35.1 t80 -59.15 -43.53 92.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.817 0.847 . . . . 0.0 112.001 174.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.507 HG12 ' SD ' ' A' ' 8' ' ' MET . 53.4 t -50.34 -52.07 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.676 1.59 . . . . 0.0 109.96 169.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.67 17.98 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.56 -39.8 15.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.159 1.345 . . . . 0.0 111.587 162.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' B' ' 77' ' ' PHE . 14.4 mm -54.04 -44.78 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.657 1.183 . . . . 0.0 112.441 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.462 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -59.53 -7.67 1.55 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 35.2 m -106.75 -43.5 4.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.233 1.413 . . . . 0.0 111.212 165.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.8 -39.01 57.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.179 1.392 . . . . 0.0 113.111 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.5 m -65.98 4.59 0.62 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.033 1.733 . . . . 0.0 115.572 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -19.32 -52.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 130.056 3.342 . . . . 0.0 116.716 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.61 -39.25 0.71 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.036 1.735 . . . . 0.0 113.71 174.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.42 -17.35 29.94 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 -167.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.389 2.4 p90 52.96 -17.39 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.341 3.056 . . . . 0.0 118.277 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.9 -25.01 0.05 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.374 1.87 . . . . 0.0 112.79 130.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -94.24 -104.28 0.14 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.075 2.15 . . . . 0.0 109.168 171.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.25 95.02 0.97 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.312 1.045 . . . . 0.0 110.414 173.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.38 -19.79 2.63 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 129.071 3.224 . . . . 0.0 112.445 -169.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 60.7 tp -97.46 -40.88 8.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.507 1.523 . . . . 0.0 109.842 155.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' B' ' 95' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.903 1.681 . . . . 0.0 110.655 165.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.5 p -154.71 -173.86 4.74 Favored 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 133.533 4.733 . . . . 0.0 105.097 -174.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CD ' HH22 ' B' ' 17' ' ' ARG . 28.8 tt0 -69.07 -43.09 75.3 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 124.743 3.429 . . . . 0.0 109.764 170.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' B' ' 11' ' ' ILE . 5.5 tt -46.89 -59.4 3.11 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.734 1.213 . . . . 0.0 111.394 170.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 92.7 mt-10 -76.73 -29.0 56.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.524 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.5 64.52 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.809 1.64 . . . . 0.0 111.046 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.12 93.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.742 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.595 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.264 2.8 mtt -68.96 -28.64 66.81 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.272 1.396 . . . . 0.0 114.568 171.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.43 -47.83 7.02 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-O 117.818 -1.545 . . . . 0.0 111.853 155.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtp -66.12 -30.1 70.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.175 1.987 . . . . 0.0 114.92 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -86.68 -25.04 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 121.315 1.87 . . . . 0.0 113.052 174.273 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mm -60.34 -35.21 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 118.724 0.693 . . . . 0.0 109.468 153.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 6.2 t0 -77.38 -17.14 58.45 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 120.177 -1.577 . . . . 0.0 113.153 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.1 -22.47 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 O-C-N 119.215 -2.178 . . . . 0.0 111.541 162.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 28' ' ' LEU . 22.3 t80 -80.4 -29.7 37.73 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.525 -1.359 . . . . 0.0 111.391 165.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 46.7 t -62.75 -31.19 72.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.661 1.984 . . . . 0.0 112.894 164.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -63.73 1.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.696 1.134 . . . . 0.0 110.438 166.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.451 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 9.2 m-85 -98.22 -47.01 5.62 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -152.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -5.79 12.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.582 0.753 . . . . 0.0 112.763 158.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.84 4.92 56.08 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.088 1.327 . . . . 0.0 113.532 -172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m 115.57 -69.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.659 1 C-N-CA 132.797 4.439 . . . . 0.0 106.056 -163.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -154.92 157.96 38.55 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 129.817 3.247 . . . . 0.0 106.459 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.95 -29.61 0.66 Allowed Glycine 0 N--CA 1.475 1.271 0 CA-C-N 119.17 0.896 . . . . 0.0 114.642 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -56.81 -0.74 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 129.499 3.12 . . . . 0.0 115.051 165.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m 112.63 -102.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 1 C-N-CA 133.748 4.819 . . . . 0.0 103.395 -142.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -135.01 30.4 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.278 1.431 . . . . 0.0 111.379 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -136.41 174.92 10.09 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -148.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 mp -104.59 114.06 28.03 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 128.013 2.525 . . . . 0.0 108.928 155.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -77.65 165.96 23.6 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.99 0.9 . . . . 0.0 111.589 159.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -55.35 -33.51 63.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.262 1.825 . . . . 0.0 113.518 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.43 -8.79 73.7 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.152 1.358 . . . . 0.0 115.123 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -101.0 -37.52 8.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.266 2.226 . . . . 0.0 109.664 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.86 -43.59 73.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.016 2.526 . . . . 0.0 113.177 165.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -45.82 87.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.301 1.41 . . . . 0.0 113.884 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.89 -16.12 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.34 1.456 . . . . 0.0 113.261 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 8.9 tp -77.32 -32.96 55.64 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.511 2.324 . . . . 0.0 112.404 165.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -89.47 -36.81 15.2 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.22 0.918 . . . . 0.0 112.385 -169.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -50.63 -27.36 6.75 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.774 1.63 . . . . 0.0 112.011 166.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -99.2 -61.39 1.37 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 128.962 2.905 . . . . 0.0 111.562 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.39 0.54 14.8 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.49 42.73 0.78 Allowed Pre-proline 0 CA--C 1.572 1.817 0 C-N-CA 126.0 1.72 . . . . 0.0 114.961 169.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -41.21 -32.44 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 125.545 4.163 . . . . 0.0 118.753 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -19.67 73.07 Favored Glycine 0 CA--C 1.534 1.268 0 O-C-N 120.958 -1.089 . . . . 0.0 114.358 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -89.14 -12.43 41.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.812 1.245 . . . . 0.0 111.751 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.64 5.59 45.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.863 1.665 . . . . 0.0 112.929 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.8 -18.78 65.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.47 0.708 . . . . 0.0 111.777 160.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -97.81 -80.74 0.44 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.135 1.374 . . . . 0.0 108.192 158.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.83 -15.1 60.01 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 116.969 -2.017 . . . . 0.0 117.588 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.46 ' CG ' ' H ' ' A' ' 50' ' ' ASP 0.323 0.0 OUTLIER -153.01 -90.54 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.041 2.421 . . . . 0.0 112.208 173.158 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' H ' ' CG ' ' A' ' 49' ' ' LYS . 3.9 m-20 60.39 3.98 0.63 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.328 2.651 . . . . 0.0 116.313 155.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.347 0.0 OUTLIER 40.12 32.11 0.11 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.353 2.261 . . . . 0.0 113.894 -154.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -134.73 -165.97 1.74 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 129.166 2.986 . . . . 0.0 107.691 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 46.04 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.863 2.465 . . . . 0.0 116.057 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -46.5 -45.35 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.998 1.719 . . . . 0.0 110.69 161.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.8 -22.62 65.17 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.987 1.315 . . . . 0.0 113.783 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.16 -38.78 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.628 1.103 . . . . 0.0 111.513 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.04 -7.36 2.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.161 1.385 . . . . 0.0 112.628 162.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.71 -78.77 0.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.609 1.963 . . . . 0.0 108.249 156.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -40.55 23.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -168.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.3 -33.67 76.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.354 1.062 . . . . 0.0 112.033 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -98.16 -38.49 9.3 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.185 1.394 . . . . 0.0 112.169 178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -4.95 0.76 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.819 1.248 . . . . 0.0 113.619 172.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.86 -24.77 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.033 -1.042 . . . . 0.0 113.338 159.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -80.28 -16.54 54.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 113.719 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.96 -98.41 0.68 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.924 1.725 . . . . 0.0 112.627 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -157.52 -81.9 0.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.571 1.148 . . . . 0.0 111.426 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.49 25.03 0.98 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.341 1.856 . . . . 0.0 112.723 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -139.36 109.74 6.56 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.048 1.339 . . . . 0.0 109.325 164.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.76 112.91 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.608 1.963 . . . . 0.0 112.873 -166.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.75 166.8 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.638 1.175 . . . . 0.0 113.117 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -60.83 -34.37 74.45 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.811 -1.181 . . . . 0.0 113.626 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -65.32 -52.67 52.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.233 1.013 . . . . 0.0 110.456 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.52 -51.17 60.86 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 129.211 3.004 . . . . 0.0 109.806 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -54.02 -67.4 0.26 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.9 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 tp -58.04 -37.16 59.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 120.595 1.543 . . . . 0.0 113.539 -169.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.16 -51.39 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.27 1.028 . . . . 0.0 110.779 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.2 -17.89 54.0 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.6 t -58.13 -48.09 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 120.288 1.404 . . . . 0.0 108.471 163.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.33 28.78 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 167.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.17 -24.4 24.49 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.679 -1.263 . . . . 0.0 112.893 165.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.15 -42.29 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.235 1.814 . . . . 0.0 110.678 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.491 HG21 HG12 ' B' ' 75' ' ' ILE . 7.5 t -55.07 -42.14 72.39 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.483 -0.761 . . . . 0.0 111.277 163.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -64.78 -22.76 67.05 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.99 -11.12 60.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.682 1.193 . . . . 0.0 112.614 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.7 p -68.86 -40.15 79.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.25 -0.906 . . . . 0.0 111.195 157.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -34.83 10.72 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -158.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 37.1 24.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 129.27 3.028 . . . . 0.0 116.905 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 51.23 60.4 3.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.388 1.875 . . . . 0.0 115.377 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -158.55 128.22 5.79 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.802 -1.811 . . . . 0.0 111.897 163.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 60.34 -61.83 0.07 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.297 2.239 . . . . 0.0 111.78 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -46.51 -25.58 0.71 Allowed 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 129.623 3.169 . . . . 0.0 112.47 163.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.16 -38.48 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 159.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.41 29.21 0.84 Allowed Glycine 0 N--CA 1.48 1.573 0 CA-C-N 120.071 1.305 . . . . 0.0 116.111 -169.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.2 tp -131.07 -11.48 3.71 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 128.531 2.732 . . . . 0.0 111.589 174.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' OXT' ' OG1' ' B' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 125.284 1.433 . . . . 0.0 111.006 -169.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.488 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.272 0.082 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 26.9 p -153.43 -176.21 5.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.759 3.624 . . . . 0.0 107.477 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.19 -47.62 80.8 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 123.572 2.896 . . . . 0.0 109.743 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -59.37 5.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.06 1.744 . . . . 0.0 111.774 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 98.4 mt-10 -73.6 -29.98 62.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 118.326 -0.845 . . . . 0.0 113.242 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -39.82 66.42 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.579 1.536 . . . . 0.0 111.285 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.27 90.69 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.582 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -61.41 -32.33 72.28 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 170.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.11 -33.95 11.42 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.929 -1.484 . . . . 0.0 112.959 164.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 43.5 mtt -75.63 -32.85 60.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.946 1.873 . . . . 0.0 113.406 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.5 -26.23 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 120.141 1.337 . . . . 0.0 113.194 177.277 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.96 -37.28 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.968 156.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.11 -44.1 93.29 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 120.321 1.419 . . . . 0.0 111.88 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -53.0 -31.32 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 121.302 1.865 . . . . 0.0 112.595 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 71' ' ' PHE . 46.7 t80 -82.08 -33.32 29.89 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.302 1.041 . . . . 0.0 113.646 170.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -83.45 1.19 42.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 128.311 2.645 . . . . 0.0 113.688 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.481 HH22 ' CD ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -70.5 -59.87 2.59 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.136 2.574 . . . . 0.0 108.669 156.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -87.62 -74.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.83 1.652 . . . . 0.0 111.259 -165.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.7 p -57.12 -18.26 14.15 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.263 -0.898 . . . . 0.0 113.116 167.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.48 -26.14 0.02 OUTLIER Glycine 0 C--N 1.342 0.913 0 C-N-CA 129.205 3.288 . . . . 0.0 117.02 163.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -144.37 60.09 1.34 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.683 1.241 . . . . 0.0 111.731 160.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 74.75 172.95 0.27 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.718 2.407 . . . . 0.0 116.754 162.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.48 9.02 0.03 OUTLIER Glycine 0 CA--C 1.534 1.238 0 C-N-CA 126.951 2.215 . . . . 0.0 113.088 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -176.73 -127.6 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.281 1.432 . . . . 0.0 107.217 -155.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.401 ' OG1' ' OXT' ' A' ' 95' ' ' LYS . 9.3 p -116.12 61.01 0.72 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.345 2.258 . . . . 0.0 107.032 148.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.373 1.2 pt20 39.97 82.55 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 130.47 3.508 . . . . 0.0 113.6 -168.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -135.93 171.22 14.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 129.693 3.197 . . . . 0.0 106.622 166.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.19 102.03 10.84 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.087 -1.008 . . . . 0.0 108.578 157.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -66.43 152.81 44.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.176 153.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -49.23 -34.29 14.64 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.892 1.677 . . . . 0.0 113.645 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.11 -25.08 64.82 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.552 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -84.67 -40.37 17.49 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.211 1.404 . . . . 0.0 110.193 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.12 -39.03 19.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.242 2.217 . . . . 0.0 113.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -62.55 -48.43 79.52 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -11.25 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.13 1.372 . . . . 0.0 113.796 -169.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.15 -41.58 41.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 129.569 3.148 . . . . 0.0 111.572 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.7 mmt -70.57 -35.51 73.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.045 0.938 . . . . 0.0 112.022 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.35 -33.29 28.83 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.395 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -97.6 -50.0 4.65 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.658 1.983 . . . . 0.0 110.047 -169.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -109.68 -6.81 15.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 113.803 -165.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.97 38.65 0.34 Allowed Pre-proline 0 CA--C 1.579 2.058 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -38.51 10.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.565 2 C-N-CA 129.449 6.766 . . . . 0.0 124.575 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.03 -7.68 2.52 Favored Glycine 0 N--CA 1.472 1.097 0 CA-C-N 121.771 2.078 . . . . 0.0 116.265 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CD2' HD21 ' B' ' 57' ' ' LEU . 96.9 m-85 -73.83 -10.84 60.08 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.217 1.509 . . . . 0.0 111.451 156.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.02 -6.99 37.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.797 2.439 . . . . 0.0 113.511 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -61.48 -22.84 65.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.373 1.069 . . . . 0.0 112.267 164.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 6.8 t -104.55 -49.13 3.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.799 1.239 . . . . 0.0 111.019 160.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.26 -18.99 0.26 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 117.55 -1.694 . . . . 0.0 117.257 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -7.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.32 2.248 . . . . 0.0 115.686 169.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.22 47.77 1.47 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.39 1.45 . . . . 0.0 114.91 -151.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 -26.38 0.12 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.41 2.684 . . . . 0.0 114.224 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -82.1 -19.38 40.25 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.63 1.972 . . . . 0.0 113.585 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -144.01 -177.1 5.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.364 1.465 . . . . 0.0 111.03 166.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t 59.35 -61.38 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.1 2.16 . . . . 0.0 110.606 -156.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.96 -29.94 22.61 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.318 1.447 . . . . 0.0 113.05 166.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.01 -13.83 19.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.488 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.4 mm? -81.23 -3.79 53.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.651 0.78 . . . . 0.0 110.555 160.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -96.98 -74.01 0.58 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.52 2.328 . . . . 0.0 108.507 164.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 12.2 mmtm -44.77 -35.33 2.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 128.425 2.69 . . . . 0.0 116.248 -169.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.87 -47.75 79.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.846 1.258 . . . . 0.0 113.101 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.34 -41.21 9.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.762 2.025 . . . . 0.0 112.286 -173.573 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -37.5 -24.4 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 131.656 3.983 . . . . 0.0 114.857 165.03 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.64 -28.59 2.45 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.023 1.729 . . . . 0.0 114.785 164.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -18.82 41.63 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.405 1.082 . . . . 0.0 112.926 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.54 -96.96 0.81 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.74 1.638 . . . . 0.0 112.62 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -165.24 -42.15 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 157.18 -3.46 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 131.44 3.896 . . . . 0.0 113.592 -164.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -111.42 87.41 2.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.905 1.682 . . . . 0.0 108.406 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.62 102.97 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 127.689 2.395 . . . . 0.0 112.238 -169.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.08 165.56 10.95 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 125.202 1.401 . . . . 0.0 112.84 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 2.9 p90 -63.29 -27.45 69.34 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.893 -1.129 . . . . 0.0 113.444 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.0 p -60.15 -57.44 12.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.575 1.15 . . . . 0.0 110.777 172.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.66 -51.41 60.3 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.959 2.104 . . . . 0.0 109.847 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -54.62 -62.25 1.78 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.049 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.491 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -60.9 -38.98 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 119.606 1.094 . . . . 0.0 112.524 -172.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 52.3 t -55.66 -49.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.745 1.218 . . . . 0.0 110.8 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -84.5 -15.47 45.8 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.595 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.9 t -57.46 -36.58 53.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 120.58 1.537 . . . . 0.0 109.482 160.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.58 9.73 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 167.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 -41.89 8.55 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.818 156.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.42 -31.33 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.154 1.382 . . . . 0.0 111.403 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -57.39 -22.51 43.28 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.7 p -86.07 -29.27 23.52 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.575 1.079 . . . . 0.0 111.985 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.58 -0.4 17.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 113.137 168.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.7 m -39.51 -34.78 0.24 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.537 2.735 . . . . 0.0 114.391 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -49.71 -88.76 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.833 2.453 . . . . 0.0 113.652 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm 48.01 -85.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.779 2.032 . . . . 0.0 112.183 -157.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.447 ' HA ' ' HB ' ' B' ' 92' ' ' THR . 0.5 OUTLIER -149.68 44.27 0.92 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.087 2.555 . . . . 0.0 111.283 179.461 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -145.18 159.7 42.59 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 130.587 3.555 . . . . 0.0 104.385 163.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 64.13 -45.45 0.28 Allowed 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.127 1.785 . . . . 0.0 114.156 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -60.21 2.22 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.216 2.206 . . . . 0.0 111.308 159.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.447 ' HB ' ' HA ' ' B' ' 88' ' ' TYR 0.332 0.6 OUTLIER -78.86 -11.26 59.99 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.958 1.708 . . . . 0.0 113.016 175.449 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.61 -14.79 10.06 Favored Glycine 0 CA--C 1.541 1.713 0 CA-C-O 119.24 -0.756 . . . . 0.0 113.786 157.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.01 26.98 4.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.485 1.914 . . . . 0.0 112.382 169.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.518 0.0 OUTLIER . . . . . 0 C--O 1.256 1.407 1 C-N-CA 132.027 4.131 . . . . 0.0 116.907 -169.0 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.0 ttm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -153.21 -170.09 3.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 128.836 2.854 . . . . 0.0 108.382 -165.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.19 -54.3 46.8 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 123.541 2.882 . . . . 0.0 109.021 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' CD2' HG13 ' B' ' 78' ' ' VAL . 6.6 tt -51.87 -60.04 3.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.836 2.055 . . . . 0.0 111.259 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.63 -21.89 37.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.873 0.869 . . . . 0.0 112.84 -168.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -49.22 45.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.897 1.68 . . . . 0.0 110.005 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 91.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.729 ' SD ' HG12 ' B' ' 78' ' ' VAL . 3.9 mtt -75.54 -25.29 57.05 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.352 1.433 . . . . 0.0 114.697 169.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.11 -33.02 6.9 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 117.775 -1.57 . . . . 0.0 113.303 156.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.9 mtt -74.77 -17.59 60.61 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.613 2.206 . . . . 0.0 114.363 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -25.43 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.869 1.213 . . . . 0.0 113.363 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.17 -31.97 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 118.972 0.805 . . . . 0.0 109.316 153.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.54 -34.16 76.51 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 120.276 -1.515 . . . . 0.0 112.588 166.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.9 -53.66 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 121.632 2.015 . . . . 0.0 110.236 172.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -46.55 -47.61 19.61 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.229 0.331 . . . . 0.0 111.123 167.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 m -68.49 -16.78 64.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -67.89 -44.97 75.77 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.27 1.85 . . . . 0.0 109.057 162.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.76 -15.18 13.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -153.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.34 6.17 30.28 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.383 0.992 . . . . 0.0 111.456 148.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.65 51.42 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.014 1.292 . . . . 0.0 115.192 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 t 97.36 -71.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.502 3.521 . . . . 0.0 107.875 -158.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.8 149.7 52.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.242 0.928 . . . . 0.0 111.214 165.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.11 -5.73 0.02 OUTLIER Glycine 0 CA--C 1.542 1.724 0 N-CA-C 117.496 1.758 . . . . 0.0 117.496 -163.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -149.21 2.73 0.57 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.301 2.641 . . . . 0.0 112.846 -160.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 24' ' ' SER 0.387 14.5 t 71.4 -154.62 0.1 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.649 1.979 . . . . 0.0 110.134 -110.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -108.18 55.29 0.64 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 121.518 1.963 . . . . 0.0 111.528 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -148.06 135.76 20.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -162.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 97.61 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.522 1.129 . . . . 0.0 110.725 161.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -72.23 165.23 24.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.291 -0.881 . . . . 0.0 111.584 162.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -57.78 -28.83 64.34 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.602 1.561 . . . . 0.0 113.765 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.27 -16.92 61.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.729 1.157 . . . . 0.0 115.265 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -93.52 -37.32 11.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.614 2.365 . . . . 0.0 110.209 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.62 HD22 HG13 ' A' ' 54' ' ' VAL . 7.9 tt -55.27 -34.23 63.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 129.644 3.177 . . . . 0.0 114.521 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -74.64 -42.92 57.69 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -168.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.75 -18.01 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 124.835 1.254 . . . . 0.0 111.579 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.27 -28.56 63.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.547 2.739 . . . . 0.0 112.235 167.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -20.41 19.22 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.644 -1.285 . . . . 0.0 113.338 -169.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.58 -7.36 14.45 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.869 1.268 . . . . 0.0 112.849 167.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -138.22 -61.16 0.61 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.779 2.032 . . . . 0.0 109.657 -148.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -11.65 18.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -130.7 42.37 0.89 Allowed Pre-proline 0 CA--C 1.558 1.256 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.66 142.82 48.96 Favored 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 121.512 1.576 . . . . 0.0 112.768 171.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 -34.26 5.88 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.861 1.696 . . . . 0.0 113.908 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.73 -17.2 64.48 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.743 -1.445 . . . . 0.0 111.272 162.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 4.88 3.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.449 2.3 . . . . 0.0 114.036 172.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -51.21 -25.86 6.13 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.237 0.926 . . . . 0.0 113.226 161.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -109.24 -60.99 1.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.85 1.66 . . . . 0.0 109.804 164.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -10.77 66.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.65 1.595 . . . . 0.0 115.092 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -170.04 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.196 1.498 . . . . 0.0 112.379 -170.62 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.55 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 48.1 m-20 44.52 17.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 133.354 4.661 . . . . 0.0 117.064 176.288 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.322 0.1 OUTLIER 47.95 15.37 0.06 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 128.748 2.819 . . . . 0.0 115.683 -171.573 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -135.41 4.67 3.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.63 1.572 . . . . 0.0 113.759 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.22 -67.1 1.01 Allowed 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.074 1.306 . . . . 0.0 112.233 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG13 HD22 ' A' ' 33' ' ' LEU . 1.4 t -54.48 -35.47 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.336 0.654 . . . . 0.0 110.448 166.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.76 -20.16 65.19 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.461 1.505 . . . . 0.0 114.135 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -97.47 -39.96 8.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.089 1.313 . . . . 0.0 111.654 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.65 -3.08 0.43 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.273 1.029 . . . . 0.0 112.921 157.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -98.94 -68.99 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.975 2.11 . . . . 0.0 110.413 158.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.67 12.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.967 2.107 . . . . 0.0 116.292 -171.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.93 -34.29 64.28 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.133 1.333 . . . . 0.0 112.16 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -94.54 -39.57 10.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.644 1.578 . . . . 0.0 111.953 -176.091 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -29.2 -38.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.306 3.843 . . . . 0.0 115.633 167.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.09 -21.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -18.44 28.95 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.711 1.204 . . . . 0.0 112.473 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.12 -71.62 0.02 OUTLIER Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.731 1.605 . . . . 0.0 114.015 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -150.19 -63.36 0.21 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 145.04 -51.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 130.04 3.336 . . . . 0.0 107.767 -154.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.58 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 150.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.32 107.31 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.909 2.084 . . . . 0.0 111.856 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.52 163.1 11.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.541 1.536 . . . . 0.0 112.817 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -56.65 -31.84 64.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.792 0.837 . . . . 0.0 112.763 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.7 -51.99 65.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.514 1.526 . . . . 0.0 110.58 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -47.14 87.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.808 1.643 . . . . 0.0 109.659 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.6 -64.82 0.77 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 117.636 -1.173 . . . . 0.0 110.81 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.75 -40.35 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.564 1.529 . . . . 0.0 112.982 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.2 -49.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.714 0.806 . . . . 0.0 111.771 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -87.55 -17.9 30.98 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.37 -48.5 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.41 1.459 . . . . 0.0 108.678 159.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.88 -12.17 60.13 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.76 -49.68 17.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.884 1.22 . . . . 0.0 109.986 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mm -47.45 -49.41 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.612 1.965 . . . . 0.0 113.119 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -49.5 -36.37 22.82 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -94.25 -39.35 10.57 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.393 0.542 . . . . 0.0 111.599 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.73 -50.74 69.88 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.189 1.395 . . . . 0.0 113.448 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 p -55.18 -51.21 67.25 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.562 1.145 . . . . 0.0 110.27 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -8.64 15.65 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.082 1.353 . . . . 0.0 114.302 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -71.23 -12.26 61.37 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.184 -1.572 . . . . 0.0 113.654 170.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -96.02 -34.71 11.66 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -165.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 64.62 166.85 0.16 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 125.872 1.669 . . . . 0.0 112.717 -154.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 62.13 -58.54 0.12 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.931 1.292 . . . . 0.0 109.671 -140.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HD3' ' H ' ' A' ' 91' ' ' LYS . 5.4 mptt -58.25 -76.7 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.325 2.65 . . . . 0.0 110.248 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -11.64 60.81 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.95 -10.93 15.84 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.724 162.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.5 tp -138.55 4.79 2.4 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.775 2.43 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.518 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -133.13 -99.82 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.839 0.745 . . . . 0.0 111.532 -160.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -143.04 -55.83 0.41 Allowed 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 128.596 2.759 . . . . 0.0 105.793 168.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 tt -44.8 -60.14 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.742 1.617 . . . . 0.0 113.434 155.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.8 -31.98 70.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.317 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.06 73.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.991 1.269 . . . . 0.0 112.277 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.168 1.387 . . . . 0.0 111.054 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -62.22 -27.63 69.12 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.07 1.304 . . . . 0.0 114.081 171.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.08 -11.34 1.42 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 127.136 2.303 . . . . 0.0 113.911 164.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 71.0 mtp -102.49 -10.76 19.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.283 1.833 . . . . 0.0 112.718 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -13.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.946 1.248 . . . . 0.0 113.512 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -70.35 -6.07 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 118.658 0.663 . . . . 0.0 111.345 145.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -117.45 -26.74 6.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.894 1.678 . . . . 0.0 113.252 -174.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -26.97 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 119.618 -1.926 . . . . 0.0 110.851 147.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.19 -12.35 59.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.286 165.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 6.7 p -72.53 -91.16 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 115.22 -2.324 . . . . 0.0 107.397 165.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.29 -82.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 128.685 2.794 . . . . 0.0 112.811 162.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.404 ' HB3' ' H ' ' B' ' 19' ' ' SER 0.264 0.4 OUTLIER -40.38 -88.23 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.145 1 C-N-CA 137.719 6.407 . . . . 0.0 115.407 161.021 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.404 ' H ' ' HB3' ' B' ' 18' ' ' TYR . 10.5 p -75.73 -0.84 22.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.78 10.21 0.01 OUTLIER Glycine 0 N--CA 1.481 1.661 1 C-N-CA 133.525 5.345 . . . . 0.0 119.785 -154.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 m -151.48 -60.24 0.17 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 152.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -142.46 124.08 14.98 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.017 1.727 . . . . 0.0 111.072 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.82 35.74 3.95 Favored Glycine 0 CA--C 1.545 1.931 0 C-N-CA 128.02 2.724 . . . . 0.0 113.353 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 126.53 -16.11 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 1 C-N-CA 134.521 5.128 . . . . 0.0 110.641 -154.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.9 t 117.17 172.16 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 1 C-N-CA 134.328 5.051 . . . . 0.0 105.471 -146.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.363 2.2 pt20 -74.83 77.72 2.11 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 122.846 2.566 . . . . 0.0 113.066 -174.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -163.86 167.65 20.48 Favored 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 135.868 5.667 . . . . 0.0 105.599 -173.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 119.26 36.15 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.881 1.673 . . . . 0.0 111.322 167.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -66.49 155.88 36.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.242 151.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -46.67 -38.39 9.71 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.912 2.085 . . . . 0.0 112.572 169.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.58 89.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.267 1.413 . . . . 0.0 113.799 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -83.96 -44.61 14.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.055 1.428 . . . . 0.0 110.375 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -44.74 -43.04 8.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.699 1.6 . . . . 0.0 112.239 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -50.41 -39.45 47.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.33 -40.04 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 120.013 1.279 . . . . 0.0 112.83 -159.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.94 -35.55 69.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.52 0.728 . . . . 0.0 111.503 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt -56.36 -39.65 73.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.911 0.884 . . . . 0.0 112.254 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -56.96 -19.44 18.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.253 1.821 . . . . 0.0 114.111 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -114.22 -52.9 2.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.727 2.011 . . . . 0.0 109.159 -168.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.63 0.88 19.26 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.86 34.88 0.28 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 164.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.22 -20.05 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.736 3.624 . . . . 0.0 119.669 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.22 -49.47 52.46 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 120.195 1.361 . . . . 0.0 112.049 169.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.39 -30.93 70.86 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.369 -1.077 . . . . 0.0 111.851 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.33 -6.3 0.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -11.07 56.73 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.227 1.376 . . . . 0.0 112.143 162.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.38 -17.38 25.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.356 2.262 . . . . 0.0 112.439 164.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.53 -87.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.063 0 C-N-CA 128.043 2.735 . . . . 0.0 114.767 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.57 -68.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.716 2.406 . . . . 0.0 111.083 172.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.04 -43.24 0.16 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.157 2.583 . . . . 0.0 116.004 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER 139.24 -14.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 137.433 6.293 . . . . 0.0 112.429 175.57 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.91 -20.1 14.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.88 1.672 . . . . 0.0 113.609 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.23 169.81 9.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.017 0.826 . . . . 0.0 109.352 156.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.65 -46.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.306 1.842 . . . . 0.0 110.56 -159.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -44.98 -57.83 3.56 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 126.398 1.879 . . . . 0.0 112.325 154.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -0.77 19.24 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.58 -63.41 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 117.947 -1.025 . . . . 0.0 108.93 150.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -38.89 -65.12 0.39 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.153 1.381 . . . . 0.0 111.605 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -23.08 21.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.322 2.649 . . . . 0.0 115.126 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -53.26 7.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.755 0.822 . . . . 0.0 110.994 172.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.594 HD12 HG11 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -64.35 -45.04 89.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.865 0.866 . . . . 0.0 111.56 178.106 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.64 -36.57 0.26 Allowed 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.346 4.258 . . . . 0.0 115.351 177.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.3 -16.72 3.67 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -16.96 27.82 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.003 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.43 -67.46 0.01 OUTLIER Glycine 0 N--CA 1.474 1.192 0 CA-C-N 121.445 1.929 . . . . 0.0 115.288 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -140.3 -62.96 0.49 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -172.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 137.85 -52.02 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 129.731 3.213 . . . . 0.0 108.022 -150.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -74.82 86.55 2.22 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 109.42 163.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' B' ' 73' ' ' GLU . 2.4 t -64.4 111.95 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.934 2.494 . . . . 0.0 113.45 -163.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.35 162.9 5.61 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.377 1.871 . . . . 0.0 112.763 166.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -37.82 64.53 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.009 0.923 . . . . 0.0 111.746 174.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 -45.97 91.36 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 110.998 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.636 ' HB2' HG13 ' B' ' 69' ' ' VAL . 16.2 mt-10 -61.74 -50.71 71.32 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.798 1.239 . . . . 0.0 110.147 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -61.11 -55.04 37.09 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.184 0.594 . . . . 0.0 111.438 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.16 -41.63 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.966 0.906 . . . . 0.0 112.372 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -53.96 -48.41 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.168 0.987 . . . . 0.0 111.187 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -79.76 -24.02 41.81 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.729 HG12 ' SD ' ' A' ' 8' ' ' MET . 24.5 t -52.13 -36.14 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 120.596 1.544 . . . . 0.0 110.776 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.09 63.09 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 172.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.07 -48.45 16.04 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.256 0.935 . . . . 0.0 109.897 163.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.72 -46.05 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.803 2.041 . . . . 0.0 112.801 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -53.02 -28.82 26.14 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.164 0.986 . . . . 0.0 112.829 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.0 p -88.65 -41.52 12.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.701 0.8 . . . . 0.0 112.708 168.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.85 68.9 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.52 1.528 . . . . 0.0 113.227 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 52.1 p -62.93 -20.39 65.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -108.78 -15.26 14.44 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.829 2.052 . . . . 0.0 113.062 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -60.25 -27.77 67.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.328 1.451 . . . . 0.0 111.764 166.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.25 -49.7 5.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.983 0.913 . . . . 0.0 112.889 169.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 t80 60.52 -24.24 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.797 2.439 . . . . 0.0 116.769 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.69 -19.97 30.68 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.573 1.533 . . . . 0.0 111.557 147.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.78 -94.78 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.387 1.475 . . . . 0.0 110.035 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.4 t -75.25 -2.14 26.67 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.6 -4.85 79.38 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.541 -1.35 . . . . 0.0 113.346 164.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 63.4 tp -89.94 -32.01 17.01 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.695 1.247 . . . . 0.0 111.341 156.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.258 1.507 0 C-N-CA 125.356 1.463 . . . . 0.0 113.17 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 32.7 ttm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -155.85 -173.19 4.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 131.332 3.853 . . . . 0.0 106.652 -172.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.43 -52.92 63.18 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 122.689 2.495 . . . . 0.0 111.297 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.53 -52.17 49.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.577 1.551 . . . . 0.0 110.905 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 36.8 mt-10 -79.59 -13.67 59.36 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.18 63.64 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.067 1.758 . . . . 0.0 109.867 171.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.31 89.93 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.497 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' HG12 ' B' ' 78' ' ' VAL . 61.0 mtm -62.52 -32.41 73.34 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.55 1.523 . . . . 0.0 113.93 169.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.68 -41.33 9.64 Favored Glycine 0 C--O 1.214 -1.103 0 CA-C-O 117.454 -1.748 . . . . 0.0 111.386 163.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.9 mtp -68.47 -31.68 71.15 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.232 2.016 . . . . 0.0 114.182 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.315 0.0 OUTLIER -91.21 -30.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.11 1.323 . . . . 0.0 113.75 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.83 -32.65 57.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 121.73 -0.606 . . . . 0.0 110.481 157.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.28 -40.57 70.82 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 120.557 -1.339 . . . . 0.0 111.619 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.68 -47.19 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.734 1.606 . . . . 0.0 110.989 165.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.48 -21.94 66.19 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -90.2 -7.08 54.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.764 1.626 . . . . 0.0 112.9 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -73.62 -55.85 5.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.908 1.283 . . . . 0.0 110.221 165.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -102.73 -52.36 3.1 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -159.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -10.02 31.32 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.012 0.823 . . . . 0.0 112.147 154.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 -9.06 10.18 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.811 1.672 . . . . 0.0 115.912 161.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m 113.13 -66.52 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 131.998 4.119 . . . . 0.0 106.286 -157.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -140.43 155.41 46.73 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.334 1.453 . . . . 0.0 109.991 167.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.73 2.86 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.299 0.952 . . . . 0.0 115.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.41 -4.88 0.33 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.829 2.052 . . . . 0.0 111.715 -153.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 p 77.2 -160.12 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.562 1.145 . . . . 0.0 109.36 -111.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -108.76 61.19 0.6 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.321 1.419 . . . . 0.0 111.203 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.8 p -139.35 161.2 38.02 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.838 1.655 . . . . 0.0 110.924 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.62 116.03 21.17 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 150.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -73.61 163.34 28.14 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.596 -0.842 . . . . 0.0 111.316 152.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -55.77 -30.2 60.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.39 1.876 . . . . 0.0 113.16 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.4 -14.39 74.05 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.022 1.296 . . . . 0.0 114.987 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -102.44 -39.42 7.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 128.362 2.665 . . . . 0.0 109.879 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -26.97 25.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.285 2.234 . . . . 0.0 114.837 168.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -81.86 -48.22 11.82 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.035 1.289 . . . . 0.0 114.291 -165.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -15.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.903 1.681 . . . . 0.0 111.792 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.99 -68.45 0.39 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.299 2.24 . . . . 0.0 110.672 157.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . 0.345 8.2 ptm -53.74 -14.5 0.94 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 -168.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.43 -35.55 70.22 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 121.302 1.864 . . . . 0.0 113.311 165.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.99 -49.56 6.52 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 128.835 2.854 . . . . 0.0 111.197 -161.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -0.73 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.418 1.487 . . . . 0.0 113.925 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mt -122.79 31.88 0.2 Allowed Pre-proline 0 CA--C 1.566 1.581 0 C-N-CA 125.188 1.395 . . . . 0.0 114.168 160.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -54.41 132.56 51.59 Favored 'Trans proline' 0 C--N 1.362 1.268 0 CA-C-N 122.733 2.012 . . . . 0.0 113.038 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.2 -38.42 3.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.709 1.623 . . . . 0.0 112.209 -172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.441 1.12 . . . . 0.0 111.244 166.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.04 7.65 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 130.286 3.434 . . . . 0.0 114.136 171.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -47.57 -30.15 3.37 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.172 1.351 . . . . 0.0 113.759 166.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.7 m -91.09 -18.87 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.64 1.976 . . . . 0.0 114.814 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.23 -79.14 0.01 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.265 1.888 . . . . 0.0 112.81 -158.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.2 125.23 11.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.335 1.854 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -138.59 4.13 2.35 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.333 2.253 . . . . 0.0 112.326 -170.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 48.76 23.15 0.62 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 128.646 2.778 . . . . 0.0 115.56 -162.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.26 -6.18 1.4 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.5 -53.06 2.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.418 1.887 . . . . 0.0 110.69 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -44.11 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.038 0.935 . . . . 0.0 110.107 161.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.56 -18.83 62.91 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 125.46 1.504 . . . . 0.0 114.044 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -98.73 -23.78 15.29 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.218 1.372 . . . . 0.0 111.686 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.91 0.52 10.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.838 . . . . 0.0 111.543 156.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -102.38 -74.87 0.62 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.707 1.603 . . . . 0.0 110.214 162.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -42.84 3.28 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.613 3.165 . . . . 0.0 115.046 -170.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 m-20 -55.87 -48.62 75.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.028 1.331 . . . . 0.0 112.303 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -86.05 -46.41 10.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.82 1.648 . . . . 0.0 112.199 -177.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.05 -35.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 131.636 3.975 . . . . 0.0 114.828 169.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.96 -26.47 1.76 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.367 1.867 . . . . 0.0 115.345 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.53 -14.18 49.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.944 1.698 . . . . 0.0 112.014 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.82 -66.82 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 120.362 1.437 . . . . 0.0 114.95 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.09 -59.56 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.732 0.813 . . . . 0.0 112.764 -167.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.17 -51.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 130.292 3.437 . . . . 0.0 107.836 -155.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.67 97.2 0.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.379 0.609 . . . . 0.0 110.177 157.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.0 102.78 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 129.598 3.159 . . . . 0.0 111.361 -169.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.48 164.55 3.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.941 1.696 . . . . 0.0 112.704 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -56.78 -33.51 66.71 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 123.678 0.791 . . . . 0.0 112.043 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -62.42 -53.5 53.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.426 1.49 . . . . 0.0 110.528 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.14 -49.92 75.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.371 1.468 . . . . 0.0 109.518 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 78' ' ' VAL . 55.6 t80 -56.48 -64.69 0.78 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.42 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.66 -37.49 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 120.158 1.345 . . . . 0.0 113.164 -173.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.64 -51.31 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 123.662 0.785 . . . . 0.0 110.957 172.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 6.7 m-85 -77.77 -20.79 52.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG12 ' SD ' ' B' ' 8' ' ' MET . 70.4 t -55.08 -53.61 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 162.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.4 -7.31 6.27 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 171.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.58 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.127 1.331 . . . . 0.0 111.907 162.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.51 -47.37 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.998 2.119 . . . . 0.0 111.429 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 HG12 ' B' ' 75' ' ' ILE . 8.8 t -56.13 -9.6 0.67 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 173.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.6 p -109.3 -35.49 6.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.785 1.634 . . . . 0.0 112.153 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.64 -30.29 65.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.803 1.641 . . . . 0.0 113.896 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -65.65 -0.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -173.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' HA ' HG23 ' A' ' 92' ' ' THR . 12.4 p-80 -52.52 -19.26 2.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -50.88 -20.95 1.47 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.308 2.243 . . . . 0.0 114.449 168.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.413 ' HD2' HG22 ' A' ' 92' ' ' THR . 17.5 m-85 -56.39 -28.11 58.29 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -144.42 -119.85 0.09 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.112 0.869 . . . . 0.0 109.003 156.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -28.98 24.77 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.209 1.368 . . . . 0.0 111.578 160.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 -23.35 4.52 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 86' ' ' HIS . 28.8 p 112.28 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 130.909 3.684 . . . . 0.0 108.577 -152.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.94 17.23 8.15 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.376 1.465 . . . . 0.0 114.111 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -154.77 -37.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.286 2.234 . . . . 0.0 109.705 -171.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? . . . . . 0 C--O 1.257 1.482 0 C-N-CA 128.539 2.736 . . . . 0.0 107.479 171.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpp . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.5 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.8 p -134.16 -172.83 3.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.432 2.693 . . . . 0.0 108.632 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.58 -56.76 17.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.14 1.791 . . . . 0.0 111.294 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.44 -46.54 63.05 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.962 1.705 . . . . 0.0 112.344 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' B' ' 2' ' ' THR . 57.0 mt-10 -78.46 -30.79 47.63 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.84 80.02 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 120.004 1.274 . . . . 0.0 110.626 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.84 69.83 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.241 0.616 . . . . 0.0 110.373 165.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.466 ' SD ' HG12 ' A' ' 78' ' ' VAL . 67.0 mtm -60.89 -32.7 72.15 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.26 -34.97 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 118.619 -1.1 . . . . 0.0 112.438 164.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mtt -80.54 -37.19 31.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.164 1.482 . . . . 0.0 113.383 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -30.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.444 1.474 . . . . 0.0 112.463 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm -63.1 -42.1 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.759 161.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.93 -48.96 74.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.18 1.355 . . . . 0.0 113.124 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -33.51 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.161 1.346 . . . . 0.0 112.436 -176.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 53.4 t80 -72.87 -42.13 63.97 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.162 1.385 . . . . 0.0 113.61 167.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 17.1 t -71.65 1.42 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.426 1.891 . . . . 0.0 114.178 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -87.96 -57.64 2.86 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.165 1.786 . . . . 0.0 109.926 159.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 36' ' ' LEU . 6.3 m-85 -76.99 -45.25 28.01 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -170.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -75.26 -3.08 31.14 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 0.0 112.814 162.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.86 16.49 0.07 OUTLIER Glycine 0 C--N 1.345 1.079 1 C-N-CA 130.748 4.023 . . . . 0.0 119.35 -149.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.1 m -160.08 -59.39 0.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 163.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' H ' ' B' ' 26' ' ' GLN . 50.4 mt-10 -137.89 157.36 46.56 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.306 1.442 . . . . 0.0 109.305 147.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.06 33.68 2.29 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 126.503 2.001 . . . . 0.0 110.412 166.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 145.18 -69.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.41 3.484 . . . . 0.0 109.751 -155.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t 179.67 52.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.218 3.407 . . . . 0.0 107.168 -172.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.42 ' H ' ' HA ' ' B' ' 22' ' ' GLU 0.335 4.7 pt20 30.57 62.57 0.19 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.5 2.72 . . . . 0.0 115.393 -153.391 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -127.12 172.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.014 2.126 . . . . 0.0 107.482 156.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.7 mp -90.11 109.46 20.52 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 153.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -67.82 157.01 35.79 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.722 148.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.414 ' HB2' HD22 ' B' ' 58' ' ' LEU . 72.1 tttt -45.85 -34.69 3.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.811 2.444 . . . . 0.0 113.501 171.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.65 -28.44 55.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.463 1.03 . . . . 0.0 114.76 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.45 -49.48 16.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.607 1.563 . . . . 0.0 108.899 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -47.43 -39.62 16.03 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.159 2.184 . . . . 0.0 113.34 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -60.74 -47.0 88.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.51 1.505 . . . . 0.0 114.546 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.64 -6.03 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.057 1.343 . . . . 0.0 112.133 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' B' ' 18' ' ' TYR . 47.8 tp -90.45 -36.8 14.35 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.637 2.775 . . . . 0.0 111.624 174.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mmt -69.1 -25.82 64.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 111.675 -172.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.74 -25.8 55.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.646 1.178 . . . . 0.0 113.084 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -106.78 -48.67 3.46 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.669 1.988 . . . . 0.0 109.906 -167.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.15 -35.45 21.71 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.475 1.51 . . . . 0.0 114.232 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.74 40.87 0.65 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 126.577 1.951 . . . . 0.0 115.082 -165.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -34.94 127.41 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 123.062 2.508 . . . . 0.0 113.759 157.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.45 -40.38 2.46 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.858 1.218 . . . . 0.0 113.788 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -65.89 -22.51 66.52 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.881 1.84 . . . . 0.0 110.991 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -6.97 29.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.322 2.649 . . . . 0.0 113.526 171.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.12 -23.58 67.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.858 1.208 . . . . 0.0 111.613 166.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.3 t -96.25 -67.28 0.86 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.838 0.855 . . . . 0.0 109.958 155.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.36 3.62 66.51 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-O 117.05 -1.972 . . . . 0.0 115.563 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.253 0.0 OUTLIER 173.87 -108.85 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.342 2.657 . . . . 0.0 111.357 -176.339 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 9.6 m-20 49.86 18.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.385 2.674 . . . . 0.0 115.348 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.7 18.72 0.2 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.535 2.734 . . . . 0.0 116.116 -161.009 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.62 -10.42 7.34 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.442 1.897 . . . . 0.0 114.43 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.92 175.13 9.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.319 1.447 . . . . 0.0 109.697 160.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t 57.94 -64.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 126.274 1.83 . . . . 0.0 110.65 -160.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -48.26 -39.02 20.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.058 2.143 . . . . 0.0 113.465 167.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -92.72 -9.46 40.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.495 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.0 mm? -88.75 -1.08 57.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.924 0.489 . . . . 0.0 110.231 163.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' B' ' 30' ' ' LYS . 6.3 tp -102.15 -71.42 0.72 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.593 2.357 . . . . 0.0 109.736 167.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.4 1.47 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.287 3.035 . . . . 0.0 115.668 -170.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -46.0 90.91 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.629 1.972 . . . . 0.0 113.008 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.52 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -101.34 -25.97 13.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.81 2.444 . . . . 0.0 113.086 -174.187 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.4 -22.01 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 131.499 3.92 . . . . 0.0 114.244 163.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.89 -24.7 0.15 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.04 2.136 . . . . 0.0 114.507 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -48.99 -40.74 31.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.756 2.422 . . . . 0.0 115.04 165.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.49 -72.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.58 0.61 . . . . 0.0 113.795 -165.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -160.25 -50.58 0.05 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -160.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 158.28 3.94 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 130.886 3.674 . . . . 0.0 113.323 -157.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -121.62 93.66 4.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.297 1.839 . . . . 0.0 109.611 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.484 HG11 HD12 ' B' ' 61' ' ' LEU . 20.8 t -72.53 122.81 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.774 2.43 . . . . 0.0 111.279 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.251 0.3 OUTLIER -87.11 169.98 11.91 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 120.057 1.299 . . . . 0.0 114.213 167.461 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.59 -36.56 67.02 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.223 1.809 . . . . 0.0 112.8 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.02 -11.02 55.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.844 2.058 . . . . 0.0 112.986 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -127.59 -45.79 1.47 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 126.977 2.111 . . . . 0.0 108.649 -158.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 60.7 t80 -40.04 -62.0 0.79 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.784 151.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -57.61 -37.79 60.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.24 -47.78 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.998 0.817 . . . . 0.0 110.761 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -83.51 -22.33 32.5 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.486 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.7 t -51.3 -51.35 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.903 1.281 . . . . 0.0 108.912 159.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.16 -7.48 9.17 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.78 13.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.23 1.377 . . . . 0.0 111.686 161.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mm -51.26 -48.64 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.95 1.7 . . . . 0.0 110.809 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -53.95 -24.35 16.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.6 m -94.87 -34.53 12.41 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.118 0.967 . . . . 0.0 111.268 172.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.4 -9.74 59.0 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.522 1.529 . . . . 0.0 114.701 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -11.18 0.88 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 128.594 2.757 . . . . 0.0 115.822 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -54.06 11.18 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 129.218 3.007 . . . . 0.0 115.758 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -91.08 -16.47 27.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 113.655 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -111.68 -31.7 6.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -148.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.05 28.29 0.3 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 121.974 2.17 . . . . 0.0 110.915 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 57.9 -38.26 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.331 1.853 . . . . 0.0 112.476 -134.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . 0.283 0.0 OUTLIER -114.39 -134.71 0.35 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.855 2.062 . . . . 0.0 112.185 170.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -45.92 95.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.797 2.439 . . . . 0.0 113.262 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.16 63.02 1.36 Allowed Glycine 0 N--CA 1.469 0.848 0 C-N-CA 126.643 2.068 . . . . 0.0 115.516 -168.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 46.2 tp 49.83 70.33 0.51 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 108.83 -159.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.356 0.0 OUTLIER . . . . . 0 C--O 1.251 1.148 0 C-N-CA 131.055 3.742 . . . . 0.0 111.049 -159.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.084 0.469 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -150.4 -169.32 3.35 Favored 'General case' 0 N--CA 1.472 0.666 1 C-N-CA 132.834 4.454 . . . . 0.0 106.019 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.71 -52.93 63.02 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 122.251 2.296 . . . . 0.0 111.508 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 11' ' ' ILE . 4.2 tp -50.43 -54.96 18.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.958 1.703 . . . . 0.0 110.421 175.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.08 -23.94 51.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.53 68.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.464 1.484 . . . . 0.0 110.828 170.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.5 92.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.918 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -34.01 76.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.93 1.241 . . . . 0.0 114.287 168.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.0 -28.89 7.92 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.142 163.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 mtt -80.68 -27.22 37.15 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.023 1.912 . . . . 0.0 113.682 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.459 HD11 HD11 ' B' ' 11' ' ' ILE 0.258 0.0 OUTLIER -90.68 -25.78 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 120.724 1.602 . . . . 0.0 112.877 172.713 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.56 -32.14 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.573 154.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 32.9 t70 -68.06 -31.28 70.81 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 121.111 1.778 . . . . 0.0 113.331 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 36' ' ' LEU . 40.9 t -58.02 -31.23 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.253 1.842 . . . . 0.0 111.451 167.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.31 -10.68 59.0 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.899 1.28 . . . . 0.0 114.296 168.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP 0.274 0.0 OUTLIER -94.55 -23.09 17.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.638 1.575 . . . . 0.0 113.884 171.865 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -64.08 0.97 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.214 1.806 . . . . 0.0 111.467 164.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.99 -67.15 0.86 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.769 0.828 . . . . 0.0 111.926 -168.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 4.34 1.33 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.618 1.967 . . . . 0.0 115.363 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.81 55.17 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.089 1.328 . . . . 0.0 115.857 170.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t 105.89 -83.09 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.456 1 C-N-CA 132.298 4.239 . . . . 0.0 105.185 -173.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.49 70.2 1.38 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 122.01 0.909 . . . . 0.0 108.899 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.11 44.77 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 116.474 -2.292 . . . . 0.0 113.372 165.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.31 46.5 m -24.47 11.05 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 2 C-N-CA 136.807 6.043 . . . . 0.0 123.179 -151.982 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.7 p -53.67 -65.64 0.53 Allowed 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 123.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -78.49 71.1 4.93 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.691 1.596 . . . . 0.0 110.539 165.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -62.95 172.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 126.203 1.801 . . . . 0.0 111.9 141.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.18 77.47 1.28 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.559 1.171 . . . . 0.0 110.178 155.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -61.06 153.4 25.55 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.505 153.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -46.0 -33.25 3.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.965 2.106 . . . . 0.0 113.233 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.54 -26.02 52.18 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.599 1.095 . . . . 0.0 115.438 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -79.74 -51.71 8.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.295 1.838 . . . . 0.0 109.094 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.32 -36.16 41.35 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.564 2.745 . . . . 0.0 113.976 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -61.78 -47.8 83.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -171.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -67.82 -42.77 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.243 0.929 . . . . 0.0 110.113 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 31.5 tp -45.49 -36.21 4.33 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.273 1.829 . . . . 0.0 112.391 168.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.411 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.39 -20.17 44.65 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -174.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.87 -13.14 61.33 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.643 1.11 . . . . 0.0 112.054 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -129.53 -43.97 1.25 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.012 2.525 . . . . 0.0 110.292 -150.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HB3' ' H ' ' B' ' 4' ' ' LEU . 3.5 mt-10 -126.66 -5.96 6.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.402 1.481 . . . . 0.0 113.903 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.36 37.23 0.36 Allowed Pre-proline 0 CA--C 1.559 1.32 0 CA-C-N 120.113 1.324 . . . . 0.0 114.467 167.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.69 146.65 75.76 Favored 'Trans proline' 0 C--N 1.357 1.024 0 CA-C-N 121.757 1.663 . . . . 0.0 111.857 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.63 -50.2 1.15 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.646 1.117 . . . . 0.0 111.997 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -60.15 -17.38 40.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.352 1.076 . . . . 0.0 111.688 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.1 OUTLIER -75.61 -1.03 22.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.576 1.951 . . . . 0.0 114.727 173.671 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -22.85 63.99 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.615 1.098 . . . . 0.0 112.441 159.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -102.48 -44.08 5.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.549 1.94 . . . . 0.0 111.418 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.79 -34.37 0.28 Allowed Glycine 0 N--CA 1.476 1.325 0 C-N-CA 127.175 2.321 . . . . 0.0 118.615 156.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -163.41 -18.66 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.226 2.21 . . . . 0.0 113.795 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.12 52.41 2.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.614 1.197 . . . . 0.0 114.146 -144.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.67 -18.58 0.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.174 2.59 . . . . 0.0 113.996 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -91.26 -22.55 20.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 113.541 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.25 179.63 6.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.503 1.521 . . . . 0.0 111.456 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t 59.76 -64.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.006 2.122 . . . . 0.0 109.745 -156.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -48.61 -40.39 27.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.409 2.284 . . . . 0.0 113.011 169.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.41 -15.06 26.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' HD21 ' A' ' 61' ' ' LEU . 4.0 mm? -77.53 1.43 19.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.187 0.595 . . . . 0.0 111.059 162.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -111.95 -63.49 1.41 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.911 2.884 . . . . 0.0 109.807 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -26.34 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 0.0 115.861 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.5 -38.17 74.28 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.364 0.665 . . . . 0.0 111.939 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -95.8 -38.19 10.42 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.893 1.677 . . . . 0.0 113.145 -172.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -23.1 -36.34 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 1 C-N-CA 132.272 4.229 . . . . 0.0 115.848 162.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.45 -25.46 36.57 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.869 2.067 . . . . 0.0 114.989 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.63 -9.99 54.84 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.899 1.68 . . . . 0.0 111.817 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.14 -70.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-N 120.296 1.407 . . . . 0.0 114.891 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -154.51 -59.15 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -171.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 143.41 -50.8 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.473 3.509 . . . . 0.0 107.4 -155.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.28 90.15 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.468 -0.77 . . . . 0.0 110.317 156.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.36 114.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.908 2.483 . . . . 0.0 112.83 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.27 174.24 10.9 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 127.338 2.255 . . . . 0.0 113.41 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -63.32 -36.78 84.82 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.519 -1.363 . . . . 0.0 113.3 -167.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 -46.65 72.4 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.524 0.73 . . . . 0.0 110.929 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.33 -49.71 73.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.375 1.07 . . . . 0.0 109.738 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -55.53 -67.95 0.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.202 1.001 . . . . 0.0 111.67 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -55.78 -40.45 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 119.714 1.143 . . . . 0.0 113.222 -169.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -57.76 -47.42 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 0.0 111.307 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.5 -16.39 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.9 t -51.96 -49.2 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 120.036 1.289 . . . . 0.0 108.718 160.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.5 -7.38 19.4 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.26 -33.75 17.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.584 1.084 . . . . 0.0 111.605 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -58.61 -45.92 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.487 1.494 . . . . 0.0 111.544 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -56.92 -17.93 11.44 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 m -102.98 -28.58 11.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.679 1.992 . . . . 0.0 111.83 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.16 67.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.98 -1.7 . . . . 0.0 111.934 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m -68.39 0.35 4.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.834 166.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -34.49 -66.55 0.17 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.154 2.182 . . . . 0.0 114.611 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 42.12 -74.75 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.758 3.223 . . . . 0.0 114.582 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -96.16 -28.05 14.75 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.379 1.472 . . . . 0.0 114.122 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.367 3.3 p90 41.1 18.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.187 1 C-N-CA 132.47 4.308 . . . . 0.0 120.49 175.058 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -17.12 62.65 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.621 -0.674 . . . . 0.0 111.957 144.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -118.84 -118.13 0.31 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.576 2.751 . . . . 0.0 108.785 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.9 p -136.02 80.79 1.85 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 130.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.12 -52.98 0.57 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 128.072 2.749 . . . . 0.0 113.182 -170.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.47 1.27 0.6 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 129.87 3.268 . . . . 0.0 113.079 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--O 1.248 1.004 0 C-N-CA 128.766 2.826 . . . . 0.0 112.95 -176.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.032 -0.509 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 76.4 p -144.3 -92.94 0.11 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.218 1.407 . . . . 0.0 110.394 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -143.52 -56.04 0.39 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 128.398 2.679 . . . . 0.0 107.347 171.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.41 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 4.9 tt -49.01 -55.92 10.52 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.299 1.839 . . . . 0.0 111.516 157.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -74.69 -17.89 60.6 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.454 -0.779 . . . . 0.0 112.938 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.52 70.51 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.333 1.424 . . . . 0.0 110.839 171.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.18 95.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.073 0.949 . . . . 0.0 110.773 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.406 ' SD ' HG12 ' A' ' 78' ' ' VAL . 75.1 mtm -62.0 -34.63 76.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 171.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.99 9.71 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-O 119.165 -0.797 . . . . 0.0 113.327 163.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mtp -80.83 -37.38 30.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.105 1.452 . . . . 0.0 113.006 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.31 -33.8 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 120.75 1.614 . . . . 0.0 111.984 171.28 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mm -58.18 -33.6 47.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.785 0.834 . . . . 0.0 110.321 161.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.21 -36.99 64.01 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.385 -1.447 . . . . 0.0 114.58 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.64 -26.26 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.31 1.868 . . . . 0.0 110.642 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' B' ' 28' ' ' LEU . 8.7 t80 -66.13 -43.48 86.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.288 -0.882 . . . . 0.0 113.097 162.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -52.15 -29.53 22.46 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.464 1.506 . . . . 0.0 113.85 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -54.41 -23.82 17.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.725 1.61 . . . . 0.0 113.667 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -127.84 -70.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.084 1.353 . . . . 0.0 110.173 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . 0.273 0.9 OUTLIER -138.3 17.0 2.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -2.46 13.8 Favored Glycine 0 CA--C 1.54 1.633 0 O-C-N 121.272 -0.892 . . . . 0.0 112.214 142.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 12.8 m -47.77 -29.72 3.36 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.336 1.854 . . . . 0.0 112.689 149.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . 0.389 19.0 pt-20 37.82 17.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 1 C-N-CA 133.075 4.55 . . . . 0.0 119.32 171.07 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.58 65.76 0.28 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 142.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 m -63.8 30.76 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.42 3.088 . . . . 0.0 116.088 -167.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 52.5 m -67.26 -44.39 79.49 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.696 -1.253 . . . . 0.0 109.421 144.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -97.74 86.91 3.9 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 122.386 1.089 . . . . 0.0 108.888 159.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.307 32.9 p -69.74 174.58 4.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.821 3.648 . . . . 0.0 112.148 143.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' B' ' 15' ' ' PHE . 5.3 mp -64.15 86.36 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.296 1.046 . . . . 0.0 109.142 153.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -66.53 154.02 41.45 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.093 -1.004 . . . . 0.0 109.208 150.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -51.89 -34.07 39.62 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 112.851 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -22.82 70.16 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.735 1.16 . . . . 0.0 114.795 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.31 -48.3 9.19 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.183 1.393 . . . . 0.0 109.707 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tt -47.25 -48.53 24.5 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 127.927 2.491 . . . . 0.0 113.85 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.58 -42.9 16.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -171.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.22 -25.03 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.511 1.124 . . . . 0.0 111.835 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -75.74 -38.85 58.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.103 1.361 . . . . 0.0 111.682 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmt -60.48 -33.37 72.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.233 1.013 . . . . 0.0 112.75 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.95 -30.41 24.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.128 1.771 . . . . 0.0 112.609 171.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -101.22 -43.39 6.0 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.409 1.884 . . . . 0.0 110.256 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -87.6 -35.33 18.14 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER -151.12 65.34 6.67 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.37 127.6 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.302 3.335 . . . . 0.0 113.725 153.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.78 -56.95 0.69 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.839 1.209 . . . . 0.0 111.186 -171.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -59.08 -23.75 62.32 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.121 0.96 . . . . 0.0 112.018 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.27 -9.67 34.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.507 2.323 . . . . 0.0 113.685 173.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -65.75 -27.93 68.67 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.748 1.158 . . . . 0.0 112.173 164.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -92.78 -49.87 5.85 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 110.557 164.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.59 -7.25 0.09 OUTLIER Glycine 0 CA--C 1.543 1.797 0 N-CA-C 118.402 2.121 . . . . 0.0 118.402 170.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.382 0.0 OUTLIER 118.93 105.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 134.241 5.017 . . . . 0.0 111.978 168.167 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.12 -1.68 7.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.109 2.164 . . . . 0.0 111.652 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 133.98 -29.35 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 1 C-N-CA 132.541 4.337 . . . . 0.0 111.185 -146.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.07 176.06 5.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.54 -67.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 1 C-N-CA 131.863 4.065 . . . . 0.0 116.553 163.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -53.17 -39.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.85 0.86 . . . . 0.0 108.886 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.58 -29.33 70.35 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 171.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -88.64 -45.77 9.58 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.267 1.394 . . . . 0.0 111.509 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.454 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.0 mm? -53.02 -12.75 0.36 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.145 1.778 . . . . 0.0 112.792 160.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -90.53 -68.84 0.76 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.223 1.009 . . . . 0.0 111.57 156.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.423 ' HE2' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -52.05 -31.06 28.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.033 2.533 . . . . 0.0 115.474 -164.448 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.29 -50.02 50.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.691 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -83.05 -34.67 26.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.819 1.648 . . . . 0.0 113.541 -175.429 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HE2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -33.27 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 130.594 3.558 . . . . 0.0 114.846 167.591 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.56 65.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.564 1.946 . . . . 0.0 114.775 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -13.99 46.84 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.142 1.377 . . . . 0.0 111.272 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.26 -94.31 0.74 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.026 1.298 . . . . 0.0 112.193 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -150.51 -39.79 0.13 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.768 1.227 . . . . 0.0 112.673 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 173.22 -42.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 131.511 3.925 . . . . 0.0 109.147 -172.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.92 100.01 1.88 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.936 1.294 . . . . 0.0 109.986 171.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -75.29 108.91 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.149 2.179 . . . . 0.0 113.739 -171.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.25 171.62 14.22 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.789 2.036 . . . . 0.0 113.382 165.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -59.01 -35.54 73.44 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.01 1.324 . . . . 0.0 113.531 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -60.13 -53.69 54.77 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.319 0.963 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.47 -50.96 70.21 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.635 1.574 . . . . 0.0 109.615 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -55.57 -64.77 0.74 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.327 1.051 . . . . 0.0 112.164 175.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -58.54 -40.27 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 119.206 0.912 . . . . 0.0 112.367 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.48 -49.59 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.371 1.068 . . . . 0.0 111.298 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -85.01 -18.34 34.72 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -50.7 -47.51 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 119.951 1.25 . . . . 0.0 109.306 163.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -12.78 54.65 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.68 -36.83 21.63 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.797 1.18 . . . . 0.0 111.454 163.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -56.73 -44.67 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.278 1.431 . . . . 0.0 111.309 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -62.16 5.87 0.09 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.5 p -117.57 -39.55 3.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.144 1.778 . . . . 0.0 112.087 161.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.19 2.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.124 1.77 . . . . 0.0 114.16 -174.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 67.1 p -62.21 -41.63 98.55 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.274 0.943 . . . . 0.0 109.716 171.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -61.27 -58.96 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.527 2.331 . . . . 0.0 114.464 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.19 -46.09 0.22 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.542 1.937 . . . . 0.0 111.458 -154.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.89 -56.62 0.51 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.613 1.565 . . . . 0.0 112.549 157.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -152.01 98.45 2.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.967 2.107 . . . . 0.0 109.239 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . 0.283 4.9 pm0 32.25 -24.11 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.978 1 C-N-CA 132.613 4.365 . . . . 0.0 119.975 -154.89 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.91 -40.2 0.41 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 131.04 3.736 . . . . 0.0 110.912 162.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.253 9.4 t 144.0 60.4 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 1 C-N-CA 135.235 5.414 . . . . 0.0 108.759 -168.041 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.23 -6.32 78.57 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.65 2.071 . . . . 0.0 116.078 -164.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.51 -38.83 0.4 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.203 1.001 . . . . 0.0 111.678 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--O 1.257 1.482 0 C-N-CA 126.55 1.94 . . . . 0.0 108.664 164.237 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 119.921 -0.085 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -154.32 -175.12 5.25 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.446 3.099 . . . . 0.0 108.668 -169.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.3 -46.37 79.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.94 1.7 . . . . 0.0 112.593 172.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -46.1 55.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.904 0.881 . . . . 0.0 111.325 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE1' ' OG ' ' B' ' 85' ' ' SER . 95.3 mt-10 -73.28 -16.19 61.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.777 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.88 -28.87 27.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.422 1.464 . . . . 0.0 112.283 171.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.7 96.03 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.159 0.891 . . . . 0.0 109.932 164.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' ILE . 49.9 mtm -63.02 -34.39 77.46 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.032 -1.042 . . . . 0.0 113.786 163.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.17 -47.33 5.42 Favored Glycine 0 C--O 1.213 -1.177 0 CA-C-O 116.585 -2.231 . . . . 0.0 111.228 161.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.3 mtp -70.08 -26.54 64.04 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.608 2.204 . . . . 0.0 114.868 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' MET . 12.2 mt -78.05 -47.86 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 120.891 -1.131 . . . . 0.0 109.666 174.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mm -54.09 -28.14 17.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.858 1.663 . . . . 0.0 110.319 162.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.9 -40.72 31.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.507 1.523 . . . . 0.0 111.745 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -37.8 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 122.107 2.23 . . . . 0.0 110.423 165.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.59 -14.1 61.54 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.696 1.198 . . . . 0.0 113.168 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -100.45 -8.16 23.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.483 1.913 . . . . 0.0 112.879 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -77.06 -64.04 1.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.746 2.018 . . . . 0.0 109.551 161.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -88.48 -67.1 0.85 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.089 0.956 . . . . 0.0 112.168 -160.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -58.51 -8.24 1.17 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 158.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.94 -4.11 8.53 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.466 1.508 . . . . 0.0 115.999 167.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m 126.11 -74.75 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.603 1 C-N-CA 133.736 4.814 . . . . 0.0 105.92 -170.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -150.78 178.13 9.42 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.276 2.63 . . . . 0.0 108.263 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.3 -32.96 0.59 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.885 1.231 . . . . 0.0 112.218 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.325 1.3 t 35.82 21.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 130.602 3.561 . . . . 0.0 117.701 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -68.66 -36.52 78.67 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.321 1.448 . . . . 0.0 111.921 111.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 19' ' ' SER . 29.6 mt-30 -132.84 77.46 1.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 130.214 3.406 . . . . 0.0 105.999 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p -33.66 153.8 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.736 2 C-N-CA 139.719 7.208 . . . . 0.0 119.922 60.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.29 67.6 2.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.585 1.154 . . . . 0.0 110.067 167.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.496 ' HB ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -51.86 146.9 7.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 145.175 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -35.09 -40.3 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.97 2.508 . . . . 0.0 113.544 171.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 -27.25 55.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.635 1.112 . . . . 0.0 115.546 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.94 -55.26 5.62 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.123 1.461 . . . . 0.0 108.711 168.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 54' ' ' VAL . 5.5 tt -41.62 -42.15 2.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 129.272 3.029 . . . . 0.0 113.664 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -59.13 -35.48 73.54 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.84 -14.91 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.684 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -81.69 -24.44 36.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.639 2.376 . . . . 0.0 112.042 166.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mmm -79.13 -52.72 7.81 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.919 -1.113 . . . . 0.0 112.945 -164.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.33 3.13 0.2 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.306 2.242 . . . . 0.0 113.996 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -142.73 -52.02 0.38 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 128.81 2.844 . . . . 0.0 109.169 -146.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -123.52 -0.33 8.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.8 28.38 0.16 Allowed Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 167.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -34.18 -14.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.36 2 C-N-CA 127.523 5.482 . . . . 0.0 123.05 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.41 52.38 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 121.472 1.942 . . . . 0.0 115.195 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CD2' HD21 ' A' ' 57' ' ' LEU . 92.2 m-85 -87.91 -5.85 58.35 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.055 1.427 . . . . 0.0 111.769 169.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.1 3.67 29.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.649 2.379 . . . . 0.0 111.478 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.4 -26.29 67.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.43 2.292 . . . . 0.0 111.603 165.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -89.55 -30.28 18.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.801 0.84 . . . . 0.0 112.038 158.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.06 4.33 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 125.984 1.754 . . . . 0.0 113.532 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -162.51 -75.54 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.284 2.233 . . . . 0.0 108.998 149.619 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 30.0 t70 15.09 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.7 3.2 . . . . 0.0 113.983 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 -10.91 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -172.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.26 2.28 26.64 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.48 2.312 . . . . 0.0 112.657 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.9 -168.42 3.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.006 1.722 . . . . 0.0 109.193 143.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG13 HD22 ' A' ' 33' ' ' LEU . 83.0 t 62.99 -63.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.02 2.128 . . . . 0.0 109.824 -162.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.28 -34.92 11.17 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.186 2.194 . . . . 0.0 112.618 164.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -94.74 -11.15 29.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.7 mm? -90.81 5.8 46.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.023 0.929 . . . . 0.0 110.672 163.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -108.35 -70.25 0.81 Allowed 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.128 2.971 . . . . 0.0 107.398 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -34.44 4.05 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.799 2.44 . . . . 0.0 115.956 -172.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -49.94 74.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.477 1.511 . . . . 0.0 112.319 173.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.12 -34.91 13.46 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.437 1.895 . . . . 0.0 113.391 -171.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.36 -24.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 1 C-N-CA 133.074 4.549 . . . . 0.0 115.644 166.542 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.31 70.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.247 1.819 . . . . 0.0 115.054 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -18.45 48.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.189 0.996 . . . . 0.0 111.346 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.38 -88.87 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 125.395 1.474 . . . . 0.0 112.252 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -154.46 -40.39 0.09 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 168.83 -36.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 131.161 3.784 . . . . 0.0 109.524 -173.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 26.9 mt-30 -75.95 76.68 2.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.128 0.971 . . . . 0.0 110.993 170.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -45.98 103.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 128.035 2.534 . . . . 0.0 112.364 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.63 167.09 17.66 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.952 2.501 . . . . 0.0 112.582 163.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -56.89 -36.74 70.47 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.023 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -49.54 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.526 1.13 . . . . 0.0 111.131 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.38 -47.48 85.61 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.371 0.668 . . . . 0.0 109.362 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 78' ' ' VAL . 42.0 t80 -59.77 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.643 1.177 . . . . 0.0 112.455 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.541 HG12 HG21 ' B' ' 82' ' ' THR . 11.2 tp -51.32 -43.42 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -175.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.01 -50.25 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.979 1.312 . . . . 0.0 111.154 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -81.01 -18.75 45.75 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.608 HG12 ' SD ' ' B' ' 8' ' ' MET . 92.0 t -58.52 -47.35 88.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 119.732 1.151 . . . . 0.0 107.996 164.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.95 1.32 0.94 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 168.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.81 -39.96 9.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.872 1.214 . . . . 0.0 111.308 156.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -54.72 -36.34 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.732 2.413 . . . . 0.0 111.952 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.1 t -43.3 -53.8 5.0 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.234 1.379 . . . . 0.0 111.444 169.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 m -74.37 -57.07 4.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 0.0 111.246 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.41 66.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -77.36 -12.55 59.97 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.75 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.158 1.783 . . . . 0.0 112.21 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt 47.32 -7.86 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 129.891 3.276 . . . . 0.0 118.803 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.08 -19.97 1.48 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -161.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -155.65 -131.0 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 122.291 2.314 . . . . 0.0 112.968 162.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -28.22 69.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.675 1.125 . . . . 0.0 111.259 168.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.64 ' HD2' ' H ' ' A' ' 92' ' ' THR 0.263 0.0 OUTLIER -131.26 -105.06 0.27 Allowed 'General case' 0 CA--C 1.537 0.444 1 C-N-CA 132.321 4.248 . . . . 0.0 103.907 179.173 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.64 ' H ' ' HD2' ' A' ' 91' ' ' LYS . 56.1 p -119.05 4.13 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.451 2.3 . . . . 0.0 112.272 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.79 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.528 0.844 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -158.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 pp -136.86 -5.03 1.94 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.26 2.224 . . . . 0.0 115.299 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.25 0 CA-C-N 120.349 1.431 . . . . 0.0 109.98 172.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.9 p -146.16 -179.79 6.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.005 2.122 . . . . 0.0 110.245 -169.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -53.66 -51.77 62.09 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 121.486 1.948 . . . . 0.0 112.156 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.88 -38.24 64.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' A' ' 95' ' ' LYS . 98.8 mt-10 -76.24 -37.71 57.3 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.216 -0.927 . . . . 0.0 112.945 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.88 77.88 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.971 0.909 . . . . 0.0 110.161 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.42 64.9 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.178 0.591 . . . . 0.0 110.969 164.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HG12 ' A' ' 78' ' ' VAL . 6.7 mtm -63.09 -37.0 85.47 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.71 -52.53 6.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 160.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mtt -61.52 -49.02 78.39 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 115.123 -2.37 . . . . 0.0 113.908 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -68.82 -34.51 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 124.849 3.477 . . . . 0.0 113.398 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mm -56.71 -44.31 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.313 0.96 . . . . 0.0 109.303 164.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 15.1 t70 -82.04 -3.18 54.0 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.67 -21.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 126.193 1.797 . . . . 0.0 109.782 165.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' B' ' 28' ' ' LEU . 62.4 t80 -84.91 -43.15 14.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.404 1.081 . . . . 0.0 112.158 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 17.0 t -29.64 -55.91 0.16 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 129.752 3.221 . . . . 0.0 114.12 168.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.408 ' HG3' ' H ' ' B' ' 17' ' ' ARG . 19.8 mtp180 -33.62 -46.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.656 1 C-N-CA 132.001 4.121 . . . . 0.0 114.541 171.098 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -107.78 -54.76 2.45 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.535 1.134 . . . . 0.0 109.624 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.9 p -160.16 22.01 0.16 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -15.93 57.48 Favored Glycine 0 N--CA 1.477 1.413 0 O-C-N 120.262 -1.524 . . . . 0.0 111.601 150.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.9 m -61.76 -22.98 65.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.752 2.021 . . . . 0.0 114.08 162.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.88 -163.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.904 1.682 . . . . 0.0 112.3 -165.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.35 47.17 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.798 -1.189 . . . . 0.0 110.21 -164.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.622 ' HB3' HG23 ' B' ' 27' ' ' THR 0.303 3.8 p -61.23 38.21 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 1 C-N-CA 131.743 4.017 . . . . 0.0 118.806 -159.662 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 37.5 p -58.44 -36.91 74.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.996 118.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.22 103.39 6.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.484 3.113 . . . . 0.0 105.819 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.622 HG23 ' HB3' ' B' ' 24' ' ' SER . 40.0 p 17.91 140.75 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.073 3 C-N-CA 142.109 8.164 . . . . 0.0 119.852 18.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' B' ' 15' ' ' PHE . 9.9 mp -67.77 77.81 0.2 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 122.78 1.276 . . . . 0.0 107.968 156.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -55.25 144.47 24.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 139.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -45.85 -28.45 1.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.186 2.594 . . . . 0.0 113.834 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.36 -25.71 46.52 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.51 1.052 . . . . 0.0 115.008 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.24 -50.92 10.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.096 1.448 . . . . 0.0 109.602 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' B' ' 54' ' ' VAL . 10.6 tt -43.6 -35.8 1.88 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 128.005 2.522 . . . . 0.0 114.504 -174.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -66.26 -41.26 90.17 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.46 -37.26 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.202 0.91 . . . . 0.0 110.295 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.481 HD22 HD21 ' B' ' 28' ' ' LEU . 6.0 tp -51.25 -28.33 11.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.763 2.025 . . . . 0.0 112.06 165.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.48 ' HB3' HD21 ' B' ' 45' ' ' LEU . 0.3 OUTLIER -88.39 -22.9 23.52 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.842 -1.786 . . . . 0.0 113.955 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.29 -10.57 52.13 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 112.41 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 -52.87 1.02 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.787 2.435 . . . . 0.0 109.515 -149.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -106.32 -16.49 14.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.424 1.889 . . . . 0.0 112.637 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.68 44.27 1.28 Allowed Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.77 144.24 35.48 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 121.965 1.738 . . . . 0.0 113.806 170.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.03 -21.28 28.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.247 1.403 . . . . 0.0 114.486 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.27 -15.08 60.54 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.764 1.226 . . . . 0.0 110.103 163.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' B' ' 37' ' ' MET . 0.2 OUTLIER -80.78 -1.31 42.43 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.106 2.563 . . . . 0.0 114.168 177.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -27.25 65.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.985 0.514 . . . . 0.0 111.384 160.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 1.3 m -99.64 -53.9 3.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.249 1.419 . . . . 0.0 111.625 165.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.81 6.17 6.26 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 117.842 1.897 . . . . 0.0 117.842 168.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.439 0.0 OUTLIER 111.05 92.52 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 1 C-N-CA 133.937 4.895 . . . . 0.0 110.854 -179.074 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -136.7 12.11 3.17 Favored 'General case' 0 CA--C 1.548 0.88 1 C-N-CA 132.402 4.281 . . . . 0.0 109.245 -177.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 69.14 0.37 2.79 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.164 2.585 . . . . 0.0 114.045 -166.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -115.13 -8.22 12.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.71 1.604 . . . . 0.0 114.267 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -140.86 -176.93 4.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.346 1.458 . . . . 0.0 112.003 154.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' B' ' 33' ' ' LEU . 54.1 t 59.2 -62.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 127.313 2.245 . . . . 0.0 109.529 -155.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.1 -27.19 13.19 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 113.501 167.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -102.82 -3.0 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.535 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.3 mm? -93.57 -0.99 56.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.654 0.782 . . . . 0.0 109.478 159.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.08 -78.31 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.818 2.847 . . . . 0.0 108.219 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -41.44 -42.89 2.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.865 3.266 . . . . 0.0 115.537 -169.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' B' ' 77' ' ' PHE . 0.8 OUTLIER -45.85 -55.82 6.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.698 1.999 . . . . 0.0 112.874 169.578 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.564 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.75 -38.61 10.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.161 2.185 . . . . 0.0 112.98 -173.083 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -37.28 -22.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 131.392 3.877 . . . . 0.0 114.749 162.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.25 -32.48 0.18 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.545 1.538 . . . . 0.0 114.829 158.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -97.5 -12.79 22.21 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.263 1.425 . . . . 0.0 113.402 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.81 20.61 1.0 Allowed Glycine 0 CA--C 1.539 1.566 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -164.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 69.93 -40.47 0.46 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 129.961 3.304 . . . . 0.0 116.199 169.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 167.21 6.2 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 130.794 3.638 . . . . 0.0 113.405 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -128.56 90.47 3.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.858 1.263 . . . . 0.0 109.725 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.64 129.67 35.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 125.9 1.68 . . . . 0.0 112.821 -170.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.95 169.95 10.04 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.722 2.809 . . . . 0.0 112.556 170.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -64.8 -27.42 68.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.36 1.064 . . . . 0.0 113.556 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 65.2 p -62.58 -61.96 2.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.362 0.983 . . . . 0.0 110.647 170.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.07 -50.98 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.661 1.985 . . . . 0.0 110.911 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.405 ' CG ' ' CD1' ' B' ' 15' ' ' PHE . 38.7 t80 -58.45 -61.35 2.65 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 116.832 -1.556 . . . . 0.0 111.756 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.86 -35.53 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 121.718 2.054 . . . . 0.0 113.198 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -57.32 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.22 1.008 . . . . 0.0 110.308 171.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' B' ' 60' ' ' ASP . 14.4 m-85 -80.36 -16.47 54.46 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.79 -48.53 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 125.219 1.408 . . . . 0.0 108.541 158.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.2 2.58 4.46 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.95 -38.14 9.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 111.491 156.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -40.18 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.711 2.404 . . . . 0.0 110.563 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.541 HG21 HG12 ' A' ' 75' ' ' ILE . 10.2 t -48.75 -43.88 38.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 166.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 39.5 p -71.95 -38.25 69.82 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.506 -0.746 . . . . 0.0 111.159 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.52 61.96 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 10.5 t -53.08 -20.23 3.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.176 2.59 . . . . 0.0 112.739 171.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -42.42 -13.62 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.475 3.51 . . . . 0.0 115.534 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -43.88 -22.23 0.05 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.526 2.33 . . . . 0.0 115.476 168.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.517 ' HB2' ' HA2' ' B' ' 93' ' ' GLY . 18.5 m-85 -86.34 -29.49 22.94 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.282 1.833 . . . . 0.0 113.93 -178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 48.67 -9.71 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.98 5.7 4.89 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 122.218 2.281 . . . . 0.0 113.961 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 166.25 142.7 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 2 C-N-CA 136.736 6.014 . . . . 0.0 99.494 -148.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.278 72.6 p -77.9 69.55 4.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 121.188 1.813 . . . . 0.0 109.343 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLY . . . . . 0.517 ' HA2' ' HB2' ' B' ' 88' ' ' TYR . . . 47.23 -22.62 0.01 OUTLIER Glycine 0 C--N 1.338 0.645 1 C-N-CA 135.466 6.27 . . . . 0.0 120.203 -171.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.2 -1.86 0.19 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.069 1.748 . . . . 0.0 113.984 167.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.66 1.184 . . . . 0.0 114.036 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p -156.78 -174.16 4.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.063 2.945 . . . . 0.0 108.756 -162.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -56.61 -51.71 67.62 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 122.15 2.25 . . . . 0.0 111.497 168.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.464 HD13 HG11 ' B' ' 14' ' ' VAL . 5.4 tp -54.36 -56.78 15.1 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.395 1.878 . . . . 0.0 110.889 174.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.17 -23.99 51.52 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.3 -39.47 65.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.375 1.443 . . . . 0.0 111.029 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.0 88.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.653 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtm -64.81 -29.66 70.63 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.04 -33.06 20.94 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 117.764 -1.576 . . . . 0.0 112.815 161.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.7 mtt -75.68 -39.08 58.11 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.131 1.965 . . . . 0.0 112.823 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.256 0.0 OUTLIER -82.48 -29.97 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.745 1.157 . . . . 0.0 113.726 177.368 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.66 -31.5 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 117.161 -1.4 . . . . 0.0 110.894 162.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.58 -58.16 9.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 121.554 1.979 . . . . 0.0 110.307 165.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -45.42 -41.58 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.974 1.261 . . . . 0.0 111.914 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 28' ' ' LEU . 41.6 t80 -67.02 -54.89 17.36 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 168.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -59.28 0.47 0.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.977 2.511 . . . . 0.0 114.555 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -114.66 -43.71 3.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 131.583 3.953 . . . . 0.0 111.051 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.28 -42.41 10.4 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 p -64.68 -30.91 71.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.03 -1.044 . . . . 0.0 111.205 157.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.97 0.75 76.9 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-O 117.907 -1.496 . . . . 0.0 114.799 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.7 m 130.81 -22.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 1 C-N-CA 132.002 4.121 . . . . 0.0 112.213 -174.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.28 152.86 20.86 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -154.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.11 81.4 0.32 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.124 1.821 . . . . 0.0 109.194 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.524 ' H ' HG23 ' A' ' 27' ' ' THR . 48.1 t -164.26 -118.33 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 117.277 0.538 . . . . 0.0 111.596 -134.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -106.8 -4.08 19.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.763 2.425 . . . . 0.0 112.672 157.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -141.64 66.65 1.35 Allowed 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 127.993 2.517 . . . . 0.0 107.016 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 24' ' ' SER . 24.7 p 17.1 126.84 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.123 3 C-N-CA 135.398 5.479 . . . . 0.0 117.361 37.2 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' A' ' 15' ' ' PHE . 6.1 mp -71.43 73.59 0.73 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 166.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.2 147.07 8.12 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 144.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -35.53 -37.3 0.09 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.536 2.735 . . . . 0.0 113.675 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.57 -27.04 48.93 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.541 1.067 . . . . 0.0 115.517 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.8 -52.49 8.27 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.325 1.45 . . . . 0.0 109.265 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tt -44.64 -35.13 2.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.094 2.958 . . . . 0.0 114.347 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -66.14 -41.85 89.89 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -47.88 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 119.933 1.242 . . . . 0.0 109.977 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.37 -30.32 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 113.815 161.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.538 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -92.07 -18.32 23.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 120.22 1.373 . . . . 0.0 113.921 -176.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.42 -31.73 72.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.09 1.314 . . . . 0.0 110.084 165.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.76 -64.11 1.19 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 129.697 3.199 . . . . 0.0 112.802 -170.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.74 -11.19 14.0 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.79 1.636 . . . . 0.0 112.069 -164.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.22 36.14 0.3 Allowed Pre-proline 0 CA--C 1.561 1.368 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 166.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.91 145.53 73.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 CA-C-N 122.544 1.944 . . . . 0.0 112.409 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.55 -37.64 3.36 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.661 1.124 . . . . 0.0 112.686 -170.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.57 -21.64 64.48 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.124 1.462 . . . . 0.0 111.287 168.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.9 OUTLIER -78.09 1.21 21.84 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.241 2.216 . . . . 0.0 114.868 177.57 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -58.85 -29.46 66.97 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.172 0.897 . . . . 0.0 111.258 157.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -93.38 -65.73 0.97 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.699 1.199 . . . . 0.0 109.321 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.27 -13.63 19.96 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 162.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.599 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.271 0.0 OUTLIER -177.14 -84.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.04 2.136 . . . . 0.0 109.938 169.778 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.599 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 2.8 p30 50.11 2.88 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 128.585 2.754 . . . . 0.0 117.89 166.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.351 0.0 OUTLIER 72.54 -8.42 1.22 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.804 3.242 . . . . 0.0 114.446 -170.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -124.55 14.95 8.83 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.206 1.366 . . . . 0.0 114.315 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.25 173.93 11.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.358 1.063 . . . . 0.0 110.671 153.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t 61.28 -64.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.597 1.559 . . . . 0.0 110.447 -164.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -39.31 -37.48 0.44 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 129.194 2.997 . . . . 0.0 113.691 158.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -98.91 -8.7 25.2 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.1 mm? -87.17 3.89 44.62 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.728 0.811 . . . . 0.0 110.012 162.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -111.55 -66.56 1.07 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 130.343 3.457 . . . . 0.0 108.7 172.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -32.68 21.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.026 2.131 . . . . 0.0 115.305 -171.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -50.81 72.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.67 1.988 . . . . 0.0 111.426 172.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.49 -37.46 13.14 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.268 1.827 . . . . 0.0 113.322 -170.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -27.57 -35.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 1 C-N-CA 131.745 4.018 . . . . 0.0 115.004 168.048 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.85 34.16 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.856 1.662 . . . . 0.0 115.114 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -6.31 59.12 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.038 1.735 . . . . 0.0 111.285 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.96 -86.62 0.13 Allowed Glycine 0 C--N 1.342 0.888 0 CA-C-N 119.938 1.245 . . . . 0.0 112.514 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -154.7 -42.63 0.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.536 1.134 . . . . 0.0 113.204 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 162.47 -30.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 130.95 3.7 . . . . 0.0 111.167 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.03 93.74 9.44 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 120.926 -1.109 . . . . 0.0 109.612 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 111.57 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.425 1.89 . . . . 0.0 113.492 -170.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.03 168.61 16.71 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 128.919 2.888 . . . . 0.0 113.284 165.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -60.05 -34.95 74.1 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -65.87 -55.16 18.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.395 1.078 . . . . 0.0 110.654 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.14 -49.86 62.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.827 1.251 . . . . 0.0 110.344 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 78' ' ' VAL . 34.8 t80 -57.19 -68.38 0.23 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.87 175.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -53.74 -42.84 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 121.129 1.786 . . . . 0.0 113.2 -172.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -54.73 -52.74 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.321 1.048 . . . . 0.0 110.508 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.58 -13.5 56.44 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG12 ' SD ' ' B' ' 8' ' ' MET . 69.1 t -58.68 -50.56 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 121.219 1.827 . . . . 0.0 107.293 165.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -11.76 8.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.89 -43.19 13.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.565 1.075 . . . . 0.0 111.646 161.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.401 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 1.1 mm -50.42 -45.34 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 129.329 3.051 . . . . 0.0 112.071 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 t -46.06 -51.53 13.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.748 0.703 . . . . 0.0 112.039 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -70.74 -51.85 24.64 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.258 1.423 . . . . 0.0 112.022 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 81' ' ' ILE . . . -62.69 -11.04 14.75 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.78 2.032 . . . . 0.0 114.341 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.4 p -51.56 -15.03 0.38 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.459 1.503 . . . . 0.0 113.426 159.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -97.14 -9.16 28.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.147 1.779 . . . . 0.0 113.477 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.6 -30.76 32.93 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.092 1.315 . . . . 0.0 112.24 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.55 -22.89 65.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.705 1.602 . . . . 0.0 113.561 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' HA ' ' H ' ' A' ' 93' ' ' GLY 0.272 0.0 OUTLIER 62.53 -42.8 0.18 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.629 2.372 . . . . 0.0 116.119 167.613 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -54.43 -20.94 8.48 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.24 1.416 . . . . 0.0 111.621 156.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -71.41 0.22 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 129.877 3.271 . . . . 0.0 111.466 170.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 t -133.45 -12.72 2.7 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' H ' ' HA ' ' A' ' 89' ' ' PHE . . . -64.07 -15.2 58.11 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 120.029 -1.669 . . . . 0.0 113.59 176.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.77 18.57 8.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.191 1.796 . . . . 0.0 113.679 164.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 126.512 1.925 . . . . 0.0 111.279 173.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.179 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -140.7 -106.14 0.15 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.822 1.249 . . . . 0.0 110.573 -164.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -127.17 -50.25 1.43 Allowed 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 107.281 158.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -50.14 -55.34 15.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.126 1.37 . . . . 0.0 112.262 164.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 60.2 mt-10 -72.43 -29.96 64.18 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.46 -0.775 . . . . 0.0 112.198 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -38.83 66.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.064 0.847 . . . . 0.0 111.668 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -44.68 76.9 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 124.618 1.167 . . . . 0.0 110.139 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.434 ' SD ' HG12 ' A' ' 78' ' ' VAL . 60.8 mtm -63.06 -31.8 73.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 173.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.68 -53.73 3.59 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-O 118.096 -1.391 . . . . 0.0 110.956 157.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mtt -66.14 -39.5 89.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 115.147 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -73.57 -29.51 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.459 1.481 . . . . 0.0 111.963 174.178 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.27 -24.24 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 118.673 0.67 . . . . 0.0 110.911 163.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -79.53 -34.2 41.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.971 1.709 . . . . 0.0 112.376 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 4' ' ' LEU . 50.7 t -59.72 -27.56 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.702 -1.249 . . . . 0.0 111.069 160.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -85.07 -7.27 59.18 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.052 -1.03 . . . . 0.0 113.351 167.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.7 t -101.82 -3.45 27.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.59 1.556 . . . . 0.0 112.975 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.23 -75.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.84 2.456 . . . . 0.0 109.244 164.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -80.47 -71.0 0.48 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 126.402 1.881 . . . . 0.0 110.442 -170.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -61.53 17.58 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.634 1.974 . . . . 0.0 115.4 161.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.57 -20.52 11.9 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.356 0.979 . . . . 0.0 113.494 162.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -82.75 6.46 18.02 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.509 1.124 . . . . 0.0 113.955 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 101.8 -117.4 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 130.359 3.464 . . . . 0.0 112.962 163.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.76 23.64 12.99 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 128.845 3.116 . . . . 0.0 111.08 174.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -72.66 -33.62 66.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.5 2.72 . . . . 0.0 118.169 -159.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.589 ' H ' HG22 ' B' ' 27' ' ' THR . 10.9 t 124.92 -12.12 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 131.348 3.859 . . . . 0.0 110.242 -139.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 27' ' ' THR . 29.1 mt-30 -141.27 97.28 3.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.291 3.036 . . . . 0.0 103.57 156.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' B' ' 25' ' ' THR . 4.5 t 21.88 132.43 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.109 2 C-N-CA 138.98 6.912 . . . . 0.0 119.25 -7.118 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.05 73.1 0.19 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.054 1.342 . . . . 0.0 110.1 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.409 HG23 ' H ' ' B' ' 32' ' ' GLU . 10.0 t -50.64 149.42 3.28 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 139.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -55.15 -28.14 50.66 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.511 1.524 . . . . 0.0 114.014 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.42 -28.12 53.28 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.716 -1.047 . . . . 0.0 114.458 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.409 ' H ' HG23 ' B' ' 29' ' ' THR . 36.7 tp10 -78.46 -48.57 15.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.578 1.551 . . . . 0.0 109.184 171.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG13 ' B' ' 54' ' ' VAL . 9.1 tt -41.34 -46.36 3.27 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 127.838 2.455 . . . . 0.0 113.578 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -66.24 -34.62 78.43 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.76 -22.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.857 0.863 . . . . 0.0 111.952 -169.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.6 -32.31 64.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 130.847 3.659 . . . . 0.0 112.139 166.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.44 ' HB2' HD21 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -82.74 -22.68 34.31 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.26 -1.525 . . . . 0.0 113.243 -168.504 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.44 -27.56 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.701 1.137 . . . . 0.0 111.735 167.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -108.21 -54.59 2.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.128 2.171 . . . . 0.0 110.301 -159.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -113.65 -6.95 13.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.278 1.831 . . . . 0.0 112.471 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -136.1 40.65 0.52 Allowed Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -53.78 141.24 66.02 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.061 1.841 . . . . 0.0 114.131 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.79 -34.82 5.39 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.913 1.721 . . . . 0.0 113.436 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -60.39 -17.96 47.32 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.118 0.959 . . . . 0.0 112.104 162.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' B' ' 37' ' ' MET . 0.3 OUTLIER -94.83 16.53 15.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 127.53 2.332 . . . . 0.0 114.373 -177.439 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -32.83 -30.59 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.694 2.398 . . . . 0.0 115.961 156.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 52.0 m -127.69 1.87 6.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.61 1.964 . . . . 0.0 112.991 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 -55.16 0.08 OUTLIER Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.551 1.072 . . . . 0.0 112.296 -153.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' HB3' ' B' ' 53' ' ' ALA . 5.9 mttt 74.64 138.3 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 130.548 3.539 . . . . 0.0 114.648 167.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -155.64 6.64 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.701 2.0 . . . . 0.0 112.437 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -137.16 -62.65 0.62 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.785 1.634 . . . . 0.0 111.289 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -106.86 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.413 1.885 . . . . 0.0 109.775 173.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . . . -72.87 -171.02 0.79 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.386 1.448 . . . . 0.0 111.691 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.612 HG13 HD22 ' B' ' 33' ' ' LEU . 21.0 t 59.66 -61.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.04 1.736 . . . . 0.0 109.629 -149.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -54.53 -30.33 53.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.087 1.355 . . . . 0.0 112.676 165.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -95.42 -6.17 41.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.374 1.443 . . . . 0.0 114.336 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.463 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.3 mm? -86.09 -1.78 57.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.536 -0.727 . . . . 0.0 109.461 159.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.36 -75.22 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.649 2.38 . . . . 0.0 108.712 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -39.68 5.53 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.435 3.094 . . . . 0.0 115.348 -169.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -48.03 80.53 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.507 1.523 . . . . 0.0 112.231 174.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -91.02 -44.37 9.36 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.313 1.845 . . . . 0.0 112.456 -174.165 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -27.34 -35.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.987 1 C-N-CA 132.306 4.243 . . . . 0.0 115.166 165.055 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.75 34.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 0.0 115.506 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -12.13 49.32 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.295 1.438 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.0 -63.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 CA-C-N 120.105 1.32 . . . . 0.0 114.958 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.59 -60.92 0.1 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -168.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.69 -44.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.778 3.631 . . . . 0.0 108.672 -154.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -65.14 84.34 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.613 -0.679 . . . . 0.0 110.744 150.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 61' ' ' LEU . 54.9 t -50.92 106.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 128.613 2.765 . . . . 0.0 111.4 173.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 176.0 7.71 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.707 1.14 . . . . 0.0 113.358 166.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -34.89 69.52 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.701 1.6 . . . . 0.0 113.567 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -68.05 -53.68 23.88 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.202 1.401 . . . . 0.0 110.508 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' B' ' 69' ' ' VAL . 11.0 mt-10 -50.14 -51.12 46.0 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.538 1.535 . . . . 0.0 110.065 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.55 -67.05 0.4 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.309 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.72 -40.31 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.172 1.351 . . . . 0.0 112.541 -170.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.78 -54.3 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.8 1.24 . . . . 0.0 111.343 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.58 -21.33 38.48 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.5 -48.63 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 124.788 1.235 . . . . 0.0 109.253 163.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -8.9 13.46 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.94 -43.8 10.32 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.141 1.337 . . . . 0.0 111.22 162.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -45.28 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.264 2.225 . . . . 0.0 110.778 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -49.8 -54.35 19.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.674 0.67 . . . . 0.0 112.623 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -79.42 -10.94 59.91 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.7 -55.93 5.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.351 0.978 . . . . 0.0 109.823 163.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m -62.21 -7.88 4.84 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.344 1.458 . . . . 0.0 113.829 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.441 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 35.4 m170 -48.15 -25.97 1.7 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.567 1.53 . . . . 0.0 113.008 162.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -16.8 38.15 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 169.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -157.43 46.95 0.39 Allowed 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 127.264 2.226 . . . . 0.0 112.887 168.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' B' ' 86' ' ' HIS . 1.3 t80 -75.25 -72.5 0.3 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.502 -1.999 . . . . 0.0 112.563 -171.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -63.84 0.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 131.383 3.873 . . . . 0.0 103.687 163.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 mttp 17.62 -85.57 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 130.411 3.484 . . . . 0.0 114.265 144.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.412 ' OG1' ' OXT' ' B' ' 95' ' ' LYS . 0.9 OUTLIER -125.48 21.22 7.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.689 1.196 . . . . 0.0 112.135 171.693 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.1 -22.73 65.0 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.436 1.017 . . . . 0.0 112.288 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 44.1 tp -122.32 -1.9 9.11 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.575 1.95 . . . . 0.0 112.97 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.412 ' OXT' ' OG1' ' B' ' 92' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 C-N-CA 126.236 1.814 . . . . 0.0 110.629 -177.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 34.6 ttm . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.2 p -158.45 -172.57 3.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.212 3.005 . . . . 0.0 108.536 -160.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.89 -65.05 0.63 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 122.201 2.273 . . . . 0.0 111.85 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.789 HD22 HG22 ' B' ' 11' ' ' ILE . 3.0 tm? -42.21 -54.14 3.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.459 2.704 . . . . 0.0 111.061 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.2 mt-10 -82.65 -26.01 32.55 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.9 -34.39 44.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.539 1.518 . . . . 0.0 111.518 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.3 77.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.449 0.568 . . . . 0.0 109.774 163.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 47.4 mtm -63.89 -30.68 71.74 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 169.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.11 -31.71 19.15 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 117.854 -1.525 . . . . 0.0 112.953 161.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 mtt -79.57 -38.76 33.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.196 1.998 . . . . 0.0 113.14 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.42 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -76.66 -30.0 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.516 1.507 . . . . 0.0 112.41 175.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -66.71 -35.48 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.069 159.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 37.3 t70 -63.66 -39.73 95.06 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 121.583 1.992 . . . . 0.0 113.042 172.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 HD13 ' B' ' 4' ' ' LEU . 53.2 t -56.7 -22.96 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 121.039 1.745 . . . . 0.0 112.115 172.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' HD13 ' A' ' 28' ' ' LEU . 32.9 t80 -81.87 -46.11 14.56 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 112.424 165.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.33 -17.62 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.739 2.015 . . . . 0.0 114.913 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.501 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.3 OUTLIER -64.55 -55.6 19.46 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.228 2.211 . . . . 0.0 110.953 162.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -101.35 -55.01 2.64 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.685 1.194 . . . . 0.0 113.366 -161.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -21.96 66.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.508 0.67 . . . . 0.0 110.928 162.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.34 38.26 Favored Glycine 0 CA--C 1.535 1.304 0 O-C-N 120.752 -1.218 . . . . 0.0 114.19 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m 132.85 -22.66 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 1 C-N-CA 131.96 4.104 . . . . 0.0 112.213 -167.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.93 158.69 15.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -158.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.02 77.58 0.39 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 127.635 2.54 . . . . 0.0 109.64 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.882 ' H ' HG23 ' A' ' 27' ' ' THR . 8.1 t -156.01 -136.83 0.06 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -134.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 t -82.58 -9.75 59.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.19 1.396 . . . . 0.0 113.343 149.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' H ' ' HB3' ' A' ' 24' ' ' SER . 34.6 mt-30 -142.24 78.18 1.61 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.383 3.073 . . . . 0.0 108.678 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.882 HG23 ' H ' ' A' ' 24' ' ' SER . 52.9 p 29.87 128.96 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 3 C-N-CA 137.694 6.398 . . . . 0.0 118.664 17.572 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.9 mp -65.87 73.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.333 1.453 . . . . 0.0 110.763 164.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -54.72 152.85 6.56 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.099 0.959 . . . . 0.0 108.464 148.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -45.4 -38.01 5.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.846 2.058 . . . . 0.0 114.324 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.66 -24.46 58.39 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.374 0.988 . . . . 0.0 114.993 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.55 -42.73 16.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.694 1.247 . . . . 0.0 110.363 171.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -49.08 -45.09 42.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.977 1.711 . . . . 0.0 110.89 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CB ' ' HZ2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -70.52 -41.09 73.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 m -68.84 -17.91 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 120.029 1.286 . . . . 0.0 113.588 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.43 -39.41 62.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.541 3.137 . . . . 0.0 112.377 165.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.456 ' CB ' HD21 ' A' ' 45' ' ' LEU . 1.2 mmm -78.73 -26.6 44.72 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -164.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.56 -33.86 70.4 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 120.888 1.677 . . . . 0.0 110.764 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -89.1 -50.13 6.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.693 2.397 . . . . 0.0 110.249 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -122.53 -1.78 9.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.73 1.212 . . . . 0.0 114.061 -164.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.68 40.48 0.43 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 124.57 1.148 . . . . 0.0 113.862 164.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.73 140.57 84.64 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.0 1.8 . . . . 0.0 111.904 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.71 8.3 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.9 1.238 . . . . 0.0 113.097 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -69.33 -11.97 61.26 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.082 1.441 . . . . 0.0 111.406 163.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -92.8 13.02 21.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.205 1.802 . . . . 0.0 114.269 -177.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -53.88 -31.87 51.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.466 0.575 . . . . 0.0 111.786 161.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.12 -54.71 2.73 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.815 1.646 . . . . 0.0 111.821 166.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.58 33.3 81.36 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.471 0.558 . . . . 0.0 113.939 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 -158.46 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -152.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.18 -32.17 1.08 Allowed 'General case' 0 CA--C 1.558 1.276 1 C-N-CA 132.681 4.392 . . . . 0.0 109.688 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -108.79 -9.2 15.22 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.45 -176.03 5.23 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.913 1.685 . . . . 0.0 111.643 173.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 47.56 -69.2 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 129.852 3.261 . . . . 0.0 116.819 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.97 -46.8 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.526 1.13 . . . . 0.0 109.908 160.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.84 -27.52 64.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.49 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -90.55 -15.6 30.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.725 1.148 . . . . 0.0 112.973 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.95 -73.08 0.1 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 143.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.09 -64.3 0.47 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.394 1.078 . . . . 0.0 112.56 -169.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.7 42.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.279 2.231 . . . . 0.0 115.649 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -48.35 11.37 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 124.587 1.179 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD12 HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -72.36 -41.2 66.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.698 0.799 . . . . 0.0 111.535 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.6 -39.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.976 3.71 . . . . 0.0 114.905 169.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.9 45.49 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.06 -10.68 46.53 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.51 -70.04 0.01 OUTLIER Glycine 0 N--CA 1.47 0.96 0 CA-C-N 121.078 1.763 . . . . 0.0 115.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -147.76 -64.06 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.24 -51.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.268 3.427 . . . . 0.0 107.959 -155.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -67.68 97.25 0.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.565 0.746 . . . . 0.0 109.77 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 61' ' ' LEU . 4.9 t -72.06 114.47 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.77 2.028 . . . . 0.0 112.85 -171.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.51 168.46 10.91 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.778 2.831 . . . . 0.0 113.633 164.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -62.94 -32.75 74.12 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.767 -1.208 . . . . 0.0 112.41 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.9 p -63.95 -54.41 34.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.103 0.865 . . . . 0.0 110.513 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HB2' HG13 ' A' ' 69' ' ' VAL . 26.3 mt-10 -48.29 -53.06 18.61 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 126.117 1.767 . . . . 0.0 110.399 173.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.55 -64.83 0.8 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.093 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' B' ' 82' ' ' THR . 8.4 tp -56.25 -37.69 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.169 1.349 . . . . 0.0 112.989 -170.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.3 -50.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.481 1.112 . . . . 0.0 111.194 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.406 ' CB ' HD22 ' A' ' 61' ' ' LEU . 8.7 m-85 -79.54 -22.34 43.99 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' SD ' ' B' ' 8' ' ' MET . 39.7 t -55.72 -47.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.317 1.047 . . . . 0.0 108.809 165.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 82' ' ' THR . . . -62.33 -9.69 8.88 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 168.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.91 -36.97 13.84 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.323 1.419 . . . . 0.0 111.897 163.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mm -57.44 -43.52 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.908 1.683 . . . . 0.0 110.443 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 HG12 ' B' ' 75' ' ' ILE . 10.1 t -60.97 -21.26 63.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 117.188 -1.387 . . . . 0.0 114.499 170.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 p -74.47 -37.86 63.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 121.288 1.858 . . . . 0.0 110.674 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.98 -27.33 68.78 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.623 1.169 . . . . 0.0 112.798 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.7 p -93.18 -37.83 11.89 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.49 -21.64 62.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.386 1.448 . . . . 0.0 112.285 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.96 70.84 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.824 1.65 . . . . 0.0 110.98 150.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 42.05 79.27 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 129.217 3.007 . . . . 0.0 116.399 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.23 -171.17 1.88 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.79 2.036 . . . . 0.0 109.939 157.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.62 -13.55 0.25 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.451 1.101 . . . . 0.0 113.667 162.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.62 -114.43 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 130.832 3.653 . . . . 0.0 110.173 152.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.286 0.3 OUTLIER -82.43 1.23 38.43 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.557 -1.964 . . . . 0.0 115.893 -171.424 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.5 -11.05 46.47 Favored Glycine 0 CA--C 1.536 1.371 0 O-C-N 121.105 -0.997 . . . . 0.0 113.341 154.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.3 tp -129.73 -55.25 1.14 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.995 1.318 . . . . 0.0 111.699 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.395 0 C-N-CA 126.0 1.72 . . . . 0.0 111.942 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.26 173.27 8.87 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.747 1.619 . . . . 0.0 110.36 173.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.501 ' CD ' HH22 ' A' ' 17' ' ' ARG . 31.4 tt0 -67.09 -39.2 86.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.652 2.024 . . . . 0.0 111.89 172.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 14' ' ' VAL . 1.8 tp -48.51 -61.42 2.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.776 1.274 . . . . 0.0 110.646 171.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.96 -35.01 76.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.713 1.605 . . . . 0.0 112.546 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.95 -36.04 49.67 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.957 -1.089 . . . . 0.0 112.903 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.19 96.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.262 0.937 . . . . 0.0 109.544 168.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.458 ' SD ' HG12 ' A' ' 78' ' ' VAL . 69.0 mtm -60.48 -37.91 82.56 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 167.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.5 -9.31 3.31 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 117.515 -1.714 . . . . 0.0 115.64 163.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.0 mtt -95.86 -43.78 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.279 2.039 . . . . 0.0 112.002 167.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.789 HG22 HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -71.42 -42.24 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.256 1.844 . . . . 0.0 112.685 175.385 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -52.77 -25.7 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.132 0.878 . . . . 0.0 110.677 163.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.53 -11.28 43.29 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 116.285 1.958 . . . . 0.0 116.285 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' B' ' 36' ' ' LEU . 58.6 t -65.95 -40.86 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 108.94 155.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.59 -26.93 67.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 166.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -75.27 -6.33 49.25 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.65 -59.19 2.88 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 121.664 2.029 . . . . 0.0 110.124 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.59 -69.61 0.73 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.112 1.765 . . . . 0.0 110.385 -165.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -63.35 30.53 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.238 2.615 . . . . 0.0 113.534 162.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.76 29.69 0.74 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 128.601 3.001 . . . . 0.0 116.825 -158.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -165.12 -19.06 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.794 1.237 . . . . 0.0 113.587 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.437 ' OE1' ' OG ' ' B' ' 24' ' ' SER . 62.6 mt-10 -152.17 176.17 11.83 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 120.648 1.567 . . . . 0.0 115.039 -161.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.825 ' HA2' HG23 ' B' ' 27' ' ' THR . . . -127.04 112.89 1.63 Allowed Glycine 0 CA--C 1.532 1.136 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 158.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.437 ' OG ' ' OE1' ' B' ' 22' ' ' GLU . 38.5 t -169.6 -139.88 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.116 0.484 . . . . 0.0 111.95 -128.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -82.02 -16.23 50.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.627 1.571 . . . . 0.0 112.634 145.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 27' ' ' THR . 46.0 mt-30 -140.09 88.86 2.25 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 128.147 2.579 . . . . 0.0 111.065 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.825 HG23 ' HA2' ' B' ' 23' ' ' GLY . 5.3 p 33.2 126.0 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 3 C-N-CA 138.175 6.59 . . . . 0.0 119.223 3.286 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.21 82.36 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.334 1.053 . . . . 0.0 111.157 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -61.63 154.69 24.41 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 122.053 0.93 . . . . 0.0 109.304 147.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' B' ' 50' ' ' ASP . 51.9 tttt -59.59 -23.76 63.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.401 1.88 . . . . 0.0 114.54 -172.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.8 -36.24 19.71 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.175 0.893 . . . . 0.0 113.568 173.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.55 -49.48 53.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.75 1.22 . . . . 0.0 110.418 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -43.79 -40.05 4.15 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 126.665 1.986 . . . . 0.0 112.912 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -64.39 -57.07 10.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.763 2.425 . . . . 0.0 112.649 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.63 -19.35 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.896 1.679 . . . . 0.0 112.682 -174.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' B' ' 14' ' ' VAL . 48.6 tp -76.95 -41.61 42.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.773 2.429 . . . . 0.0 112.68 172.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt -71.69 -30.86 66.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.54 0.736 . . . . 0.0 112.462 -167.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -53.52 -35.66 60.92 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.762 1.625 . . . . 0.0 112.006 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -97.67 -50.39 4.49 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 126.706 2.002 . . . . 0.0 110.324 -167.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -116.76 -5.02 11.58 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -166.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.02 28.29 0.16 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -46.39 132.33 15.61 Favored 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 122.849 2.366 . . . . 0.0 116.303 -174.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.23 -20.41 16.42 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.968 2.223 . . . . 0.0 114.275 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' B' ' 87' ' ' LYS . 30.9 m-85 -69.1 -14.72 63.17 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.945 1.872 . . . . 0.0 111.93 156.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -0.47 4.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.426 3.09 . . . . 0.0 113.264 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -50.4 -27.5 6.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.899 0.88 . . . . 0.0 112.443 153.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.418 ' OG ' ' OD1' ' B' ' 52' ' ' ASP . 30.9 m -102.32 -66.2 0.94 Allowed 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 126.227 1.811 . . . . 0.0 109.935 165.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.18 14.61 26.37 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.393 0.996 . . . . 0.0 113.894 -167.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -95.1 -93.2 0.19 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-O 117.376 -1.297 . . . . 0.0 113.587 -142.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.418 ' HA ' ' HE3' ' B' ' 30' ' ' LYS . 11.3 t0 134.31 -36.78 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.671 3.188 . . . . 0.0 110.338 -153.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -101.43 -10.78 19.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' OG ' ' B' ' 47' ' ' SER . 0.4 OUTLIER -135.26 -84.69 0.4 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 116.912 -1.518 . . . . 0.0 109.933 167.4 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' H ' ' B' ' 56' ' ' LYS . . . -93.08 -168.85 2.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.662 1.574 . . . . 0.0 111.205 165.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.78 -53.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.908 1.683 . . . . 0.0 110.086 -144.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.46 -35.19 67.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.155 1.382 . . . . 0.0 113.53 166.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.406 ' H ' ' HA ' ' B' ' 53' ' ' ALA . 29.3 mmtm -87.4 -3.82 59.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.35 1.432 . . . . 0.0 114.473 172.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.13 -4.7 58.21 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.552 -0.717 . . . . 0.0 110.565 159.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.33 -75.14 0.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.906 1.682 . . . . 0.0 109.453 165.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -41.51 4.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 130.384 3.474 . . . . 0.0 114.974 -166.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.84 -48.93 79.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.146 1.778 . . . . 0.0 111.864 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.612 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -85.26 -45.78 11.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.773 1.629 . . . . 0.0 112.281 -178.231 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -30.35 -34.63 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 131.961 4.104 . . . . 0.0 115.058 168.048 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.26 -23.55 9.17 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.505 1.522 . . . . 0.0 115.076 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.75 0.05 57.35 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 126.581 1.952 . . . . 0.0 111.153 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -142.26 -89.06 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.912 1.244 . . . . 0.0 112.772 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.22 -39.86 0.07 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.029 1.332 . . . . 0.0 112.717 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 166.31 -32.39 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 130.994 3.718 . . . . 0.0 110.608 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -85.83 95.54 9.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.09 -1.006 . . . . 0.0 109.55 170.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 73' ' ' GLU . 34.6 t -63.51 111.32 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 126.947 2.099 . . . . 0.0 112.144 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.12 167.23 16.53 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.675 2.39 . . . . 0.0 113.127 163.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -59.41 -33.51 71.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.636 1.174 . . . . 0.0 112.51 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -64.73 -56.78 11.54 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.239 1.015 . . . . 0.0 110.948 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.451 ' HB2' HG13 ' B' ' 69' ' ' VAL . 5.1 mt-10 -49.07 -54.06 17.66 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.043 1.737 . . . . 0.0 110.78 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 38.1 t80 -50.05 -66.09 0.45 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.849 1.659 . . . . 0.0 110.781 173.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.505 HG12 HG21 ' A' ' 82' ' ' THR . 8.2 tp -64.09 -36.28 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.641 1.11 . . . . 0.0 112.591 -166.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.72 -52.05 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.511 1.124 . . . . 0.0 110.605 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -80.99 -20.53 41.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' B' ' 74' ' ' PHE . 25.2 t -56.53 -47.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 124.637 1.175 . . . . 0.0 108.667 163.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -1.31 1.82 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 168.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.78 -40.26 9.44 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.997 1.271 . . . . 0.0 111.673 158.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mm -54.22 -35.97 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.898 2.079 . . . . 0.0 111.634 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.445 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.9 t -53.66 -49.06 68.76 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.057 0.844 . . . . 0.0 112.833 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 42.8 p -61.25 -32.42 72.23 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.404 -0.81 . . . . 0.0 112.217 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.1 51.96 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.094 1.358 . . . . 0.0 114.076 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -59.88 -22.25 62.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.487 1.494 . . . . 0.0 114.161 -168.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -62.47 -38.24 89.06 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.63 1.572 . . . . 0.0 113.948 169.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' B' ' 44' ' ' PHE . 24.1 mmtp 54.39 -45.62 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 130.942 3.697 . . . . 0.0 115.023 -169.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -140.51 -4.11 1.28 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.71 2.004 . . . . 0.0 114.272 171.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 25.3 t80 69.94 -53.8 0.62 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.187 1.795 . . . . 0.0 114.256 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.56 -18.48 52.85 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.773 1.229 . . . . 0.0 111.904 165.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 -18.88 21.12 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 168.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 9.3 m -170.22 92.6 0.21 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.191 1.796 . . . . 0.0 109.527 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.01 -68.55 0.31 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 124.175 0.893 . . . . 0.0 111.44 -168.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 56.4 tp -79.53 -38.63 33.8 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 117.121 0.46 . . . . 0.0 110.666 163.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.338 0 CA-C-O 116.053 -1.927 . . . . 0.0 109.05 164.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 p -70.66 178.74 2.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.389 1.876 . . . . 0.0 111.249 162.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.69 -47.48 70.44 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.662 -1.274 . . . . 0.0 112.338 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -60.66 3.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.568 1.547 . . . . 0.0 110.426 172.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.07 -30.05 70.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 116.988 -1.482 . . . . 0.0 112.873 -172.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.96 -24.74 28.19 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.54 2.336 . . . . 0.0 112.832 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.75 96.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.752 1.16 . . . . 0.0 109.821 158.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.427 ' SD ' HG12 ' B' ' 78' ' ' VAL . 28.9 mtt -70.44 -20.87 62.87 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 167.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.78 88.13 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.817 1.675 . . . . 0.0 111.452 168.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.45 -21.92 59.36 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.093 1.446 . . . . 0.0 113.291 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.4 -54.22 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.836 -1.165 . . . . 0.0 110.847 160.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.24 -21.65 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.032 0.933 . . . . 0.0 110.824 171.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -79.86 -33.06 40.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.36 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -67.45 -29.68 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 122.165 2.257 . . . . 0.0 110.643 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 58.5 t80 -63.87 -51.71 63.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 111.834 160.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -70.15 2.84 3.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.06 1.344 . . . . 0.0 114.248 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -54.75 5.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.434 2.293 . . . . 0.0 110.138 159.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -91.18 -48.51 6.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.237 1.415 . . . . 0.0 113.359 -168.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.19 93.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.685 158.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.36 68.09 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 118.784 -1.009 . . . . 0.0 114.207 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m 120.96 -21.74 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 1 C-N-CA 132.626 4.37 . . . . 0.0 110.884 -171.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 147.38 35.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.955 2.102 . . . . 0.0 113.429 -169.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' HA2' HG23 ' A' ' 27' ' ' THR . . . -131.61 81.86 0.32 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 127.412 2.434 . . . . 0.0 108.557 171.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 t -160.55 -78.94 0.05 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 122.535 1.16 . . . . 0.0 111.641 -143.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 p -139.47 -51.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 130.339 3.456 . . . . 0.0 106.161 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' THR . 40.3 mt-30 -103.67 89.73 3.43 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.604 2.362 . . . . 0.0 108.461 160.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.527 HG23 ' HA2' ' A' ' 23' ' ' GLY . 19.3 p 30.25 136.4 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 3 C-N-CA 140.125 7.37 . . . . 0.0 117.524 15.049 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 72.99 3.72 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.345 1.069 . . . . 0.0 108.887 170.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -52.33 148.57 6.49 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.619 149.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -32.07 -41.21 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 129.371 3.069 . . . . 0.0 115.76 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.21 -25.66 25.81 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -74.2 -43.94 55.23 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.878 1.339 . . . . 0.0 109.452 170.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' A' ' 54' ' ' VAL . 6.0 tt -49.56 -44.52 46.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.082 2.153 . . . . 0.0 113.343 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -37.73 76.6 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.11 -47.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.963 0.801 . . . . 0.0 109.939 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.2 -29.69 9.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.125 1.77 . . . . 0.0 112.881 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.455 ' HG3' HD23 ' A' ' 33' ' ' LEU . 5.6 mmt -85.56 -16.3 39.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.145 -1.597 . . . . 0.0 112.738 -178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -32.4 73.94 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.756 1.162 . . . . 0.0 110.847 162.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 39' ' ' LYS . 1.7 mmmp? -86.67 -59.23 2.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.674 2.39 . . . . 0.0 110.944 -174.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.56 -40.89 14.77 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.189 1.395 . . . . 0.0 114.48 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.79 47.77 2.46 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.159 1.384 . . . . 0.0 113.225 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -41.47 -37.53 3.45 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.765 2.976 . . . . 0.0 117.813 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 -14.89 81.91 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 120.039 1.291 . . . . 0.0 115.351 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.88 -17.07 62.14 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.798 -1.413 . . . . 0.0 111.39 168.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 0.32 13.6 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.37 -26.46 52.97 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.475 0.579 . . . . 0.0 112.317 156.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -85.21 -72.49 0.48 Allowed 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.043 0.537 . . . . 0.0 109.996 156.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 3.16 3.26 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.917 1.246 . . . . 0.0 115.202 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -132.45 98.34 4.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 126.902 2.081 . . . . 0.0 109.586 -156.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.72 13.35 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 1 C-N-CA 132.343 4.257 . . . . 0.0 117.485 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -106.26 -13.73 15.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.935 2.094 . . . . 0.0 112.257 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -121.7 -94.61 0.5 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.791 1.237 . . . . 0.0 110.807 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.06 -164.26 0.72 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.177 1.353 . . . . 0.0 110.325 160.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 33' ' ' LEU . 53.4 t 62.56 -54.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 126.2 1.8 . . . . 0.0 110.239 -158.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -51.72 -33.63 35.39 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.729 2.012 . . . . 0.0 113.478 160.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -89.68 -4.15 57.89 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.99 -2.91 56.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 164.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.266 3.3 tt -96.19 -81.07 0.42 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.941 2.896 . . . . 0.0 106.594 165.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -41.88 -55.59 3.03 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.784 1.634 . . . . 0.0 114.621 -166.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -42.85 43.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.605 1.962 . . . . 0.0 113.097 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.37 -40.29 11.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.988 1.315 . . . . 0.0 112.5 176.451 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -7.3 1.58 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.341 1.456 . . . . 0.0 113.85 175.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.88 -23.59 2.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.386 1.074 . . . . 0.0 113.754 160.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.96 -17.65 49.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.645 1.178 . . . . 0.0 113.676 170.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.06 -96.22 0.66 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.539 2.018 . . . . 0.0 112.969 -169.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -157.64 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.768 1.227 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.39 31.03 1.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.997 2.519 . . . . 0.0 110.535 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -141.71 99.23 3.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.24 2.216 . . . . 0.0 109.511 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.1 t -66.56 118.0 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.165 1.386 . . . . 0.0 112.762 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.86 166.81 22.84 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.443 1.897 . . . . 0.0 113.056 164.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.82 -34.07 73.98 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.617 1.167 . . . . 0.0 113.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 p -63.35 -57.42 10.42 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.754 1.222 . . . . 0.0 110.594 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 4.3 mt-10 -49.15 -51.45 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 130.502 3.521 . . . . 0.0 110.397 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 43.3 t80 -50.0 -67.5 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.802 1.241 . . . . 0.0 111.796 166.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.29 -38.28 73.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 120.239 1.381 . . . . 0.0 112.73 -169.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.66 -55.77 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.762 1.225 . . . . 0.0 110.628 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -76.42 -27.26 56.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.57 -45.29 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.556 167.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.94 -2.85 16.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.63 13.54 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.441 1.019 . . . . 0.0 111.91 157.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.9 mm -55.98 -42.4 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.004 1.322 . . . . 0.0 111.434 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.418 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 11.8 t -57.15 -10.87 1.35 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 171.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 m -106.52 -49.43 3.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.147 1.379 . . . . 0.0 109.324 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.04 -49.87 62.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.268 1.427 . . . . 0.0 112.715 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.3 m -74.91 -6.6 50.08 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.998 2.119 . . . . 0.0 115.26 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -115.2 1.95 13.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -157.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.514 ' HB2' HG21 ' A' ' 92' ' ' THR . 7.5 mttp -70.05 11.45 0.3 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.626 1.17 . . . . 0.0 113.356 167.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.395 13.4 m-85 141.63 0.4 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 1 C-N-CA 134.179 4.992 . . . . 0.0 115.977 157.382 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.5 t80 67.15 143.73 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.475 2.31 . . . . 0.0 115.029 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 53.74 -74.81 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.156 1.783 . . . . 0.0 111.625 -160.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -26.37 -52.25 0.05 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 129.077 2.951 . . . . 0.0 110.319 154.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.527 HG23 ' C ' ' A' ' 95' ' ' LYS . 28.9 m -134.04 63.96 1.61 Allowed 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 124.515 1.126 . . . . 0.0 110.232 165.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.08 64.38 4.25 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 117.822 -1.543 . . . . 0.0 109.913 161.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 tp 119.19 -54.49 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 131.433 3.893 . . . . 0.0 110.522 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' HG23 ' A' ' 92' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 128.784 2.834 . . . . 0.0 113.006 -164.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.7 p -142.79 -86.8 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 112.765 -156.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.39 -66.55 0.24 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.744 3.618 . . . . 0.0 104.693 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.8 -56.46 19.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.396 2.279 . . . . 0.0 112.15 161.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -75.34 -24.39 57.34 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.295 -0.878 . . . . 0.0 111.657 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.23 65.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.953 -0.546 . . . . 0.0 111.545 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.08 92.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.835 0.854 . . . . 0.0 111.212 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.418 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 54.8 mtm -60.48 -36.62 78.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.527 1.058 . . . . 0.0 112.875 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.23 -0.93 0.22 Allowed Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.903 1.716 . . . . 0.0 116.337 162.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.9 mtp -106.48 -41.15 5.36 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.206 2.003 . . . . 0.0 111.901 168.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.8 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.974 1.261 . . . . 0.0 112.336 174.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.33 -27.29 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.633 0.773 . . . . 0.0 110.834 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -103.26 6.74 38.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.815 1.646 . . . . 0.0 114.271 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 -28.18 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 120.552 -1.342 . . . . 0.0 110.231 152.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' B' ' 28' ' ' LEU . 53.2 t80 -70.74 -41.43 71.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.246 1.418 . . . . 0.0 113.435 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.4 t -62.58 14.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.991 2.116 . . . . 0.0 114.806 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -60.9 1.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.7 2.4 . . . . 0.0 108.507 165.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -75.93 -76.63 0.15 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.11 2.164 . . . . 0.0 111.314 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.455 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 29.1 t -75.85 7.26 4.09 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.359 0.663 . . . . 0.0 112.637 167.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -22.93 3.9 Favored Glycine 0 CA--C 1.541 1.694 0 O-C-N 120.865 -1.147 . . . . 0.0 113.645 144.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -73.78 4.39 5.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.732 2.013 . . . . 0.0 113.862 168.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 23' ' ' GLY 0.34 6.8 tm-20 100.24 -148.34 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 131.068 3.747 . . . . 0.0 111.933 164.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.635 ' HA2' HG23 ' B' ' 27' ' ' THR . . . -117.74 69.55 0.31 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 128.099 2.761 . . . . 0.0 109.676 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -142.92 -31.77 0.49 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -117.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t 125.85 -41.58 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 130.5 3.52 . . . . 0.0 106.953 -150.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' B' ' 27' ' ' THR . 39.3 mt-30 -130.68 83.9 2.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.995 2.518 . . . . 0.0 107.673 169.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.635 HG23 ' HA2' ' B' ' 23' ' ' GLY . 16.6 p 28.93 132.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 3 C-N-CA 138.837 6.855 . . . . 0.0 118.119 21.111 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' B' ' 15' ' ' PHE . 10.3 mp -68.46 73.71 0.23 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.667 1.222 . . . . 0.0 111.313 168.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -56.7 148.62 19.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.431 1.492 . . . . 0.0 108.627 146.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -50.62 -29.86 11.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.149 2.179 . . . . 0.0 113.999 -174.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.16 -26.82 32.69 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.256 1.408 . . . . 0.0 115.256 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -75.31 -46.64 32.16 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.996 1.398 . . . . 0.0 109.407 167.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.42 HD22 HG13 ' B' ' 54' ' ' VAL . 7.5 tt -49.42 -50.45 40.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.792 2.037 . . . . 0.0 112.166 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -57.45 -50.59 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.75 -22.16 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.3 -37.13 66.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.85 2.06 . . . . 0.0 111.717 171.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.591 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.1 mmt -72.15 -19.29 61.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.067 0.947 . . . . 0.0 112.545 -174.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -61.18 -23.96 65.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 112.745 164.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -109.01 -54.6 2.51 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.991 1.716 . . . . 0.0 109.598 -167.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.438 ' CB ' HD12 ' B' ' 41' ' ' LEU . 85.5 mt-10 -83.24 -31.26 27.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' SD ' ' B' ' 37' ' ' MET . 6.6 mp -127.05 30.32 0.19 Allowed Pre-proline 0 CA--C 1.565 1.526 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -171.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -49.43 120.95 6.33 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 123.08 2.136 . . . . 0.0 112.766 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.7 -33.96 4.57 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.652 1.596 . . . . 0.0 113.042 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.571 ' CD2' HD23 ' B' ' 41' ' ' LEU . 8.0 m-85 -70.85 -20.53 62.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.009 1.905 . . . . 0.0 112.113 163.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 1.41 1.73 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.026 1.73 . . . . 0.0 114.62 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -26.13 27.09 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.702 -0.624 . . . . 0.0 111.206 156.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -75.36 -70.63 0.41 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.832 1.653 . . . . 0.0 111.888 160.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.92 2.17 44.42 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.404 2.906 . . . . 0.0 114.876 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.48 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 5.7 ttpm? -161.49 111.96 1.67 Allowed 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 124.77 1.228 . . . . 0.0 108.686 -148.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.3 45.11 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.902 3.281 . . . . 0.0 115.009 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.58 -12.63 2.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.73 2.412 . . . . 0.0 113.593 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -123.34 -79.67 0.62 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.742 1.156 . . . . 0.0 110.646 166.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.7 -156.12 0.54 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.058 0.943 . . . . 0.0 110.122 160.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.42 HG13 HD22 ' B' ' 33' ' ' LEU . 74.6 t 59.9 -57.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.851 1.66 . . . . 0.0 109.778 -148.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -47.58 -32.13 5.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.496 2.319 . . . . 0.0 113.881 161.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -96.14 -9.89 29.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.447 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.8 mm? -81.44 -0.32 41.09 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.535 -0.728 . . . . 0.0 110.508 159.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tt -103.45 -71.26 0.73 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.157 2.583 . . . . 0.0 108.587 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -28.3 8.85 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.239 2.216 . . . . 0.0 116.167 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.04 -49.08 63.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.244 1.018 . . . . 0.0 111.906 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.552 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -86.88 -38.85 16.36 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.687 1.595 . . . . 0.0 112.774 -173.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -25.45 -33.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.838 1 C-N-CA 132.246 4.218 . . . . 0.0 116.178 166.142 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.51 31.64 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.162 1.785 . . . . 0.0 115.329 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -22.14 30.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.485 1.114 . . . . 0.0 112.158 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.56 -67.2 0.05 OUTLIER Glycine 0 CA--C 1.527 0.796 0 CA-C-N 120.067 1.303 . . . . 0.0 114.037 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -157.67 -62.0 0.09 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.659 0.784 . . . . 0.0 112.752 -170.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.02 -54.22 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 130.005 3.322 . . . . 0.0 107.836 -157.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.19 97.47 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.729 -0.607 . . . . 0.0 109.659 158.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.48 124.56 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.778 1.631 . . . . 0.0 113.559 -168.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 169.42 17.88 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.05 1.74 . . . . 0.0 113.797 164.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -61.26 -29.74 70.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 113.182 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -65.46 -56.35 12.93 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.5 1.92 . . . . 0.0 110.118 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.04 -50.28 67.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.144 0.978 . . . . 0.0 110.563 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 15' ' ' PHE . 35.3 t80 -51.18 -65.91 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.866 1.266 . . . . 0.0 111.921 173.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.9 -38.73 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.325 0.966 . . . . 0.0 111.928 -169.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.41 -39.0 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.116 1.366 . . . . 0.0 112.2 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -95.19 -19.61 19.92 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG12 ' SD ' ' A' ' 8' ' ' MET . 59.5 t -55.01 -34.69 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 119.555 1.071 . . . . 0.0 110.669 165.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.56 65.43 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 169.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.3 -51.13 5.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.556 1.071 . . . . 0.0 109.923 165.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -46.13 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 128.943 2.897 . . . . 0.0 112.665 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -50.29 -28.3 7.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.702 1.601 . . . . 0.0 113.96 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -99.03 -46.04 5.73 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.536 0.735 . . . . 0.0 111.705 166.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.14 76.15 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -165.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 89.5 p -57.33 -35.18 69.58 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 120.65 1.568 . . . . 0.0 113.754 -173.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.417 ' C ' ' H ' ' B' ' 88' ' ' TYR . 51.5 m80 -53.47 -36.2 61.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.757 2.023 . . . . 0.0 112.333 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 mttp 54.99 -19.81 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 130.302 3.441 . . . . 0.0 116.285 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.417 ' H ' ' C ' ' B' ' 86' ' ' HIS . 0.3 OUTLIER -177.27 -2.44 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.112 1 C-N-CA 133.317 4.647 . . . . 0.0 112.733 164.299 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER 72.96 -44.26 0.59 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.47 2.708 . . . . 0.0 113.513 177.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.22 -9.35 31.29 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 158.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -82.7 -36.53 25.8 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.42 1.488 . . . . 0.0 114.625 169.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.24 -31.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.5 -21.23 77.55 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.269 1.414 . . . . 0.0 115.593 -173.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.19 -21.98 4.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.916 1.358 . . . . 0.0 114.193 173.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 128.721 2.809 . . . . 0.0 108.372 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 46.7 ttp . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.2 p -151.55 -172.27 4.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.295 2.638 . . . . 0.0 108.944 -165.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -56.15 -48.92 75.35 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 121.239 1.836 . . . . 0.0 111.309 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 HG22 ' B' ' 78' ' ' VAL . 7.0 tt -61.51 -53.48 55.79 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 128.027 2.531 . . . . 0.0 112.208 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 59.1 mt-10 -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.28 74.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 120.433 1.47 . . . . 0.0 110.993 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.67 84.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.101 0.41 . . . . 0.0 110.804 167.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.22 -32.56 73.24 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.46 -29.19 16.64 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.163 -1.354 . . . . 0.0 112.927 165.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtt -83.96 -31.01 25.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.691 1.746 . . . . 0.0 113.405 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -39.67 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 120.648 1.567 . . . . 0.0 111.186 168.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.9 mm -57.04 -31.94 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.332 164.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.87 -49.78 66.87 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.858 -1.544 . . . . 0.0 111.884 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.09 -30.05 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.554 2.434 . . . . 0.0 112.8 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.81 -49.79 49.24 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.637 -1.29 . . . . 0.0 112.599 164.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -18.25 64.21 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.929 1.692 . . . . 0.0 113.142 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -57.27 3.99 Favored 'General case' 0 CA--C 1.531 0.213 1 C-N-CA 131.994 4.118 . . . . 0.0 108.717 169.603 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.56 -50.4 12.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.409 ' HB2' ' H ' ' A' ' 27' ' ' THR . 81.6 p -62.98 -14.72 51.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.181 0.992 . . . . 0.0 112.68 166.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.43 0.67 8.39 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.938 1.732 . . . . 0.0 115.147 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m 129.9 -16.77 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.259 1 C-N-CA 132.326 4.25 . . . . 0.0 112.629 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -89.79 162.22 15.63 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -155.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.94 48.08 0.99 Allowed Glycine 0 CA--C 1.538 1.483 0 C-N-CA 127.98 2.705 . . . . 0.0 110.956 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.7 m -119.9 -37.0 3.17 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -158.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t 140.46 -20.74 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 130.169 3.388 . . . . 0.0 110.653 -150.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -107.99 139.21 42.96 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 139.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 19' ' ' SER . 58.8 p 88.87 138.87 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 123.163 2.711 . . . . 0.0 115.889 -80.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.23 68.5 0.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.293 1.037 . . . . 0.0 110.861 167.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 32' ' ' GLU . 9.6 t -56.12 154.7 7.4 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.552 -0.718 . . . . 0.0 109.133 151.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -36.34 -38.22 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 129.345 3.058 . . . . 0.0 114.0 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.56 -34.49 8.49 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.092 1.329 . . . . 0.0 116.003 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tt0 -70.2 -47.48 61.32 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.772 1.786 . . . . 0.0 109.719 173.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -44.9 -52.33 8.76 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.369 1.468 . . . . 0.0 109.699 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -55.08 -54.34 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.438 1.895 . . . . 0.0 113.48 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.8 -10.37 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.32 -28.09 38.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.414 1.485 . . . . 0.0 111.619 165.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -23.54 19.68 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -159.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -20.31 62.87 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 121.669 2.031 . . . . 0.0 111.023 168.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -92.49 -59.07 2.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.699 2.0 . . . . 0.0 110.334 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.93 -4.06 17.06 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -165.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.35 36.77 0.29 Allowed Pre-proline 0 CA--C 1.564 1.5 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 170.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -48.66 133.35 26.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 122.401 1.893 . . . . 0.0 112.998 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.26 -25.67 24.22 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.479 1.514 . . . . 0.0 113.806 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.69 -15.9 60.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.809 1.805 . . . . 0.0 112.356 160.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.81 17.97 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.992 1.717 . . . . 0.0 114.256 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.0 -28.49 66.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 158.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 49' ' ' LYS . 10.3 m -82.24 -73.58 0.39 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.406 0.682 . . . . 0.0 110.476 156.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.09 -19.17 0.06 OUTLIER Glycine 0 CA--C 1.544 1.893 0 C-N-CA 127.302 2.382 . . . . 0.0 116.242 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 47' ' ' SER . 6.8 ttpm? -105.89 106.12 16.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 131.496 3.918 . . . . 0.0 109.042 -173.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -56.71 20.53 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.017 3.727 . . . . 0.0 115.632 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -111.92 -11.02 13.94 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.036 2.134 . . . . 0.0 111.673 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.64 -103.23 0.41 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.456 161.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HA ' ' H ' ' A' ' 56' ' ' LYS . . . -77.79 -160.88 0.21 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.824 1.647 . . . . 0.0 111.459 166.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t 62.4 -60.21 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 126.296 1.838 . . . . 0.0 109.185 -154.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.45 -39.43 64.43 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.161 1.785 . . . . 0.0 112.862 160.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' HA ' ' A' ' 53' ' ' ALA . 26.2 mmtm -90.88 9.65 29.51 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 170.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.77 -65.34 1.0 Allowed 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 146.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -35.9 -64.93 0.28 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.22 1.408 . . . . 0.0 111.861 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -20.53 6.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.156 2.182 . . . . 0.0 115.895 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -42.46 15.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.904 0.775 . . . . 0.0 111.522 176.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -84.67 -34.07 23.08 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.265 1.026 . . . . 0.0 112.584 -179.199 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -31.39 -41.91 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 131.404 3.882 . . . . 0.0 113.818 162.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.99 -26.8 11.47 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.672 1.589 . . . . 0.0 114.617 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.21 4.36 50.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.89 -70.34 0.01 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 116.07 1.188 . . . . 0.0 116.07 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -159.85 -68.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.0 1.32 . . . . 0.0 111.439 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 160.5 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 130.446 3.498 . . . . 0.0 108.609 -164.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -72.11 78.41 0.95 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.023 0.916 . . . . 0.0 110.112 163.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 61' ' ' LEU . 19.9 t -48.75 121.12 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 129.105 2.962 . . . . 0.0 113.014 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . 0.254 0.0 OUTLIER -89.81 172.05 9.18 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.122 1.369 . . . . 0.0 113.791 170.27 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -44.65 43.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.849 1.66 . . . . 0.0 113.731 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.5 p -69.01 -12.79 62.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.076 2.15 . . . . 0.0 114.025 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -106.25 -46.6 4.01 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.147 1.779 . . . . 0.0 107.235 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 18.9 t80 -48.32 -62.36 1.53 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.434 1.894 . . . . 0.0 111.497 159.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -61.14 -40.29 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -163.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.4 t -57.06 -46.8 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.321 1.448 . . . . 0.0 110.7 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -84.13 -21.55 31.37 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 23.5 t -54.03 -46.5 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.613 1.097 . . . . 0.0 108.82 165.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -5.37 12.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.45 -45.3 9.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.997 1.272 . . . . 0.0 110.762 160.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -40.42 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 129.133 2.973 . . . . 0.0 112.288 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -47.86 -39.18 17.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -87.02 -43.15 12.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.381 1.072 . . . . 0.0 111.368 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.89 -16.9 39.61 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -164.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.9 m -64.78 -62.67 1.43 Allowed 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.245 1.839 . . . . 0.0 108.073 162.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.56 -45.59 81.18 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 128.57 2.748 . . . . 0.0 113.172 -177.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.1 mttp 61.92 -22.42 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 129.395 3.078 . . . . 0.0 114.643 -174.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.416 ' H ' ' H ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -177.79 -7.86 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.162 1 C-N-CA 133.463 4.705 . . . . 0.0 113.004 151.47 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.416 ' H ' ' H ' ' A' ' 88' ' ' TYR 0.426 4.8 p90 44.33 3.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 130.695 3.598 . . . . 0.0 120.222 -176.211 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.99 12.11 2.96 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.486 1.114 . . . . 0.0 112.183 135.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -131.21 -84.79 0.51 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.567 2.347 . . . . 0.0 110.943 -165.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.51 83.04 3.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 155.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.65 68.88 0.57 Allowed Glycine 0 C--N 1.339 0.745 0 C-N-CA 125.792 1.663 . . . . 0.0 112.91 -168.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.4 tp 59.53 -7.15 0.06 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.732 2.413 . . . . 0.0 114.039 -163.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 128.794 2.837 . . . . 0.0 113.988 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.6 p -76.62 -170.55 1.58 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.795 3.238 . . . . 0.0 111.892 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -72.91 -44.11 61.61 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.817 3.008 . . . . 0.0 110.909 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.78 -52.03 34.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.55 1.54 . . . . 0.0 110.985 168.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.02 -19.88 50.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.886 -1.054 . . . . 0.0 113.816 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 -40.73 54.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 121.209 1.822 . . . . 0.0 110.987 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.82 77.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.215 0.462 . . . . 0.0 110.621 167.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtm -68.56 -33.85 74.81 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.04 -40.66 10.15 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 118.205 -1.331 . . . . 0.0 111.027 160.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 57.8 mtp -71.3 -25.61 62.51 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 115.745 -2.074 . . . . 0.0 114.969 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB ' ' B' ' 14' ' ' VAL 0.313 0.0 OUTLIER -89.17 -29.5 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 122.954 2.616 . . . . 0.0 113.52 171.023 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.2 -38.2 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 118.68 0.673 . . . . 0.0 109.648 159.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.551 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 17.8 t70 -84.7 -15.66 44.48 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' B' ' 11' ' ' ILE . 0.6 OUTLIER -72.22 -32.61 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.237 -1.539 . . . . 0.0 110.128 161.592 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' B' ' 28' ' ' LEU . 32.8 t80 -73.45 -38.95 65.31 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 113.07 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 12.2 t -43.97 -35.83 2.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 129.488 3.115 . . . . 0.0 114.847 174.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -50.07 -27.3 5.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.674 2.79 . . . . 0.0 113.33 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -130.91 -53.05 1.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.007 1.723 . . . . 0.0 112.01 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -143.32 -0.7 1.09 Allowed 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.34 -12.93 41.17 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 119.063 -2.273 . . . . 0.0 111.759 160.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 40.3 m -92.51 -14.98 27.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.226 2.611 . . . . 0.0 114.49 169.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -155.1 146.61 23.09 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.763 1.62 . . . . 0.0 115.113 -158.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.02 57.13 0.56 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.905 1.717 . . . . 0.0 112.44 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -138.62 -31.22 0.74 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -150.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 9.1 t 138.41 -23.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 130.587 3.555 . . . . 0.0 110.335 -154.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -108.48 129.84 55.27 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 103.095 -2.928 . . . . 0.0 103.095 139.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.6 p 66.11 126.69 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 3 C-N-CA 133.435 4.694 . . . . 0.0 117.757 -53.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' B' ' 15' ' ' PHE . 10.9 mp -71.14 66.08 0.4 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.719 1.247 . . . . 0.0 110.582 167.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -50.39 145.26 6.54 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.315 145.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -41.01 -42.11 1.83 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.859 2.464 . . . . 0.0 114.391 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -24.9 65.12 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.579 1.085 . . . . 0.0 115.223 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -79.71 -52.83 7.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.699 1.25 . . . . 0.0 109.288 167.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.708 HD22 HG13 ' B' ' 54' ' ' VAL . 7.1 tt -43.0 -54.7 4.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.807 2.443 . . . . 0.0 112.15 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -39.49 55.59 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.14 -18.89 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.55 1.14 . . . . 0.0 111.452 -173.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.73 -43.37 15.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.206 1.802 . . . . 0.0 111.712 169.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.517 ' SD ' HD13 ' B' ' 41' ' ' LEU . 12.1 mmt -71.24 -34.41 70.75 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.552 1.141 . . . . 0.0 112.82 -168.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.72 -18.0 4.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.332 1.453 . . . . 0.0 112.807 170.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -115.55 -47.05 2.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.22 2.208 . . . . 0.0 110.255 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -102.13 -14.07 17.22 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.517 HD13 ' SD ' ' B' ' 37' ' ' MET . 5.8 mp -132.42 34.77 0.27 Allowed Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -36.21 111.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.835 3.024 . . . . 0.0 114.071 161.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.75 -42.02 1.53 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.25 1.405 . . . . 0.0 112.956 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -66.89 -21.92 65.98 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 123.073 1.416 . . . . 0.0 111.401 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -1.63 9.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.113 2.565 . . . . 0.0 113.359 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -52.05 -35.35 47.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.049 0.94 . . . . 0.0 112.107 162.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.1 m -108.09 -47.15 3.61 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 124.896 1.279 . . . . 0.0 110.997 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.6 23.47 49.68 Favored Glycine 0 CA--C 1.538 1.509 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.924 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -124.72 162.26 24.6 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -154.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.7 -8.21 4.37 Favored 'General case' 0 CA--C 1.544 0.718 1 C-N-CA 132.115 4.166 . . . . 0.0 115.375 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 -33.9 5.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.554 1.142 . . . . 0.0 112.92 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -149.22 -0.63 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -153.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.51 -67.55 0.3 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.852 1.66 . . . . 0.0 114.097 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.708 HG13 HD22 ' B' ' 33' ' ' LEU . 62.4 t -58.18 -37.78 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.572 0.749 . . . . 0.0 109.559 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.53 -26.15 68.41 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -91.42 -39.56 11.92 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.977 1.262 . . . . 0.0 111.695 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.75 -8.48 3.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.003 164.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 tt -92.59 -80.15 0.38 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.073 2.149 . . . . 0.0 107.89 158.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -41.29 14.72 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.232 1.813 . . . . 0.0 115.861 -166.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -37.18 86.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.065 0.848 . . . . 0.0 111.849 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.482 HD23 ' N ' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -95.22 -43.99 7.82 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.614 1.566 . . . . 0.0 111.897 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -4.83 0.89 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.632 1.573 . . . . 0.0 113.283 174.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.86 -25.76 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.354 158.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.77 -16.38 55.67 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.716 1.206 . . . . 0.0 113.626 170.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -96.49 0.69 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.26 1.886 . . . . 0.0 112.22 -172.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -159.28 -79.21 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.372 1.069 . . . . 0.0 111.377 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.47 24.35 1.25 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.438 1.895 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -138.83 76.87 1.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.957 1.703 . . . . 0.0 111.867 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -42.34 124.18 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 127.631 2.372 . . . . 0.0 114.466 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.72 167.82 11.22 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 127.922 2.489 . . . . 0.0 113.267 168.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -60.15 -38.52 83.4 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.626 -1.296 . . . . 0.0 113.317 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -75.96 1.74 14.48 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.978 0.808 . . . . 0.0 112.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -112.22 -51.75 2.82 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 127.461 2.304 . . . . 0.0 107.297 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.27 -60.53 2.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.819 1.248 . . . . 0.0 111.655 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.0 -39.95 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 120.127 1.33 . . . . 0.0 113.391 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.06 -52.35 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.639 1.176 . . . . 0.0 109.911 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.83 -18.41 47.53 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.428 HG22 HD11 ' A' ' 4' ' ' LEU . 25.4 t -50.36 -51.49 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 120.266 1.394 . . . . 0.0 108.797 161.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -16.86 63.88 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 -19.58 44.27 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.875 -1.141 . . . . 0.0 113.221 164.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.75 -46.47 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.613 1.565 . . . . 0.0 110.876 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.496 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -54.96 -43.58 73.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.209 163.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 17.3 m -64.67 -13.54 54.56 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.9 -41.45 13.19 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.328 1.451 . . . . 0.0 111.257 171.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -56.78 -41.58 77.92 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.858 0.754 . . . . 0.0 111.209 164.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -58.2 -59.1 5.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.771 1.228 . . . . 0.0 110.539 167.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.06 -51.14 0.41 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.814 2.445 . . . . 0.0 111.262 -148.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' TYR . . . . . 0.418 ' CZ ' ' HE2' ' B' ' 91' ' ' LYS . 0.1 OUTLIER -147.99 -31.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.632 1.173 . . . . 0.0 112.673 159.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 37.6 t80 114.66 94.12 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.224 1 C-N-CA 131.775 4.03 . . . . 0.0 112.634 162.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 63.48 -65.01 0.11 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.7 2.0 . . . . 0.0 111.931 -171.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.418 ' HE2' ' CZ ' ' B' ' 88' ' ' TYR . 69.1 tttt -16.42 -58.92 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 129.42 3.088 . . . . 0.0 112.185 149.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.16 100.22 3.76 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.902 1.281 . . . . 0.0 108.133 150.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.94 -6.94 87.89 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-O 119.472 -0.626 . . . . 0.0 113.439 167.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 pp 140.21 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 1 C-N-CA 134.388 5.075 . . . . 0.0 109.522 -166.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.888 0 C-N-CA 127.706 2.402 . . . . 0.0 111.366 158.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.477 0.18 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 p -148.0 -175.6 4.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 131.228 3.811 . . . . 0.0 106.531 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.49 -52.8 63.35 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.662 2.028 . . . . 0.0 112.221 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' B' ' 41' ' ' LEU . 1.9 pp -67.48 -36.81 81.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.85 -28.44 58.2 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.652 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.73 82.31 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.502 1.046 . . . . 0.0 110.235 169.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.1 78.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.445 0.698 . . . . 0.0 112.862 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.498 ' SD ' HG12 ' B' ' 78' ' ' VAL . 69.4 mtm -62.5 -33.62 75.23 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.931 1.241 . . . . 0.0 112.912 173.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.44 -40.02 3.51 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.451 161.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mtt -76.58 -18.25 58.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.984 1.892 . . . . 0.0 114.926 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -24.89 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 120.618 1.554 . . . . 0.0 113.285 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.48 -28.28 39.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 147.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -73.72 -42.2 61.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.145 -1.883 . . . . 0.0 113.051 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 3.0 m -60.39 -35.17 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 122.542 2.428 . . . . 0.0 111.965 172.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -58.86 -46.71 87.12 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.398 0.544 . . . . 0.0 111.4 165.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 m -62.92 -24.41 67.84 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 114.011 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -70.31 -46.48 64.14 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.755 1.616 . . . . 0.0 110.045 168.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.411 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 44.1 m-85 -104.37 -24.26 13.1 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -159.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.9 m -75.84 -8.53 57.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.647 1.112 . . . . 0.0 111.667 149.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.89 7.51 36.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.939 1.257 . . . . 0.0 113.99 -166.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m 119.59 -64.69 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 133.728 4.811 . . . . 0.0 107.237 -167.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.37 178.31 2.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.73 2.812 . . . . 0.0 109.262 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.98 -29.59 4.34 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.57 1.081 . . . . 0.0 113.365 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -54.04 -24.59 17.66 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.479 2.312 . . . . 0.0 112.563 159.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m 147.37 -103.73 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 1 C-N-CA 137.364 6.266 . . . . 0.0 101.153 -170.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -126.35 41.51 3.51 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.382 1.073 . . . . 0.0 109.909 156.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -129.22 171.65 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -153.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.9 110.35 22.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.89 3.276 . . . . 0.0 108.407 158.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -74.81 162.06 29.01 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.595 1.089 . . . . 0.0 111.364 160.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -53.06 -33.95 54.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.279 1.832 . . . . 0.0 113.399 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.33 -11.27 72.53 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.799 1.19 . . . . 0.0 115.006 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -100.04 -43.19 6.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 128.187 2.595 . . . . 0.0 109.452 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.29 -25.63 1.64 Allowed 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 128.793 2.837 . . . . 0.0 114.756 165.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -76.23 -43.26 42.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.701 2.046 . . . . 0.0 115.548 -164.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.48 -10.65 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 122.358 1.075 . . . . 0.0 111.966 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 11.8 tp -74.02 -30.08 62.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.78 2.432 . . . . 0.0 111.77 163.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.89 -47.46 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.423 -1.423 . . . . 0.0 111.397 -170.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.85 -5.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 129.151 2.981 . . . . 0.0 115.057 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -141.84 -53.45 0.44 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 129.163 2.985 . . . . 0.0 108.26 -148.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -103.73 -21.73 13.66 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.353 0.0 OUTLIER -147.28 69.75 11.67 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 121.256 1.844 . . . . 0.0 114.818 164.595 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.77 -5.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.965 5.11 . . . . 0.0 119.714 169.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.99 2.78 87.19 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.807 1.67 . . . . 0.0 115.199 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -118.78 6.79 11.51 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.248 1.419 . . . . 0.0 112.303 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.78 -14.74 24.41 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.437 1.895 . . . . 0.0 112.686 -168.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 46' ' ' GLN . 21.9 mp0 -63.56 -24.31 67.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.347 2.259 . . . . 0.0 110.424 170.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -91.46 -70.22 0.7 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.423 1.489 . . . . 0.0 109.732 153.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.96 -9.48 6.54 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.91 1.924 . . . . 0.0 117.91 168.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' A' ' 50' ' ' ASP 0.297 0.0 OUTLIER -155.54 -67.74 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.677 2.239 . . . . 0.0 114.254 169.135 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 20.2 m-20 29.04 6.58 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 135.891 5.676 . . . . 0.0 120.387 176.594 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 65.97 3.5 2.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.811 2.445 . . . . 0.0 112.517 -153.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 1.5 t70 -128.37 -169.08 2.01 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 128.263 2.625 . . . . 0.0 111.188 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 48.15 -66.27 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 130.116 3.366 . . . . 0.0 117.47 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.93 -40.81 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.006 1.722 . . . . 0.0 109.578 154.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 34.3 t70 -64.48 -27.94 69.32 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 170.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -92.87 -30.66 15.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.439 1.472 . . . . 0.0 112.124 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.87 1.6 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.519 1.528 . . . . 0.0 113.348 156.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -112.75 -68.83 0.9 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.839 2.456 . . . . 0.0 109.047 164.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -29.12 10.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.739 2.416 . . . . 0.0 115.803 -173.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.09 -37.32 66.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.431 1.014 . . . . 0.0 111.825 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -90.54 -41.15 11.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.762 1.625 . . . . 0.0 112.195 -176.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -28.17 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 132.805 4.442 . . . . 0.0 116.127 168.133 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.68 -22.68 24.39 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.531 1.532 . . . . 0.0 115.014 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -7.88 56.84 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.293 1.837 . . . . 0.0 111.659 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.16 -77.12 0.02 OUTLIER Glycine 0 C--N 1.343 0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 114.43 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -146.53 -62.68 0.3 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 147.3 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 129.805 3.242 . . . . 0.0 107.714 -156.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.12 101.31 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 152.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.44 108.3 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 126.666 1.986 . . . . 0.0 110.757 -161.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 161.73 10.07 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.367 1.867 . . . . 0.0 112.609 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 91' ' ' LYS . 14.5 p90 -56.97 -33.93 67.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.851 . . . . 0.0 112.322 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -65.86 -52.84 46.92 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.516 1.127 . . . . 0.0 110.515 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.99 -50.8 60.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.008 1.323 . . . . 0.0 110.039 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.61 -64.59 0.85 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.771 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.456 HG12 HG21 ' B' ' 82' ' ' THR . 9.0 tp -59.89 -35.59 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.922 1.237 . . . . 0.0 113.292 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.39 -54.19 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.824 0.849 . . . . 0.0 110.222 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -78.07 -16.02 58.4 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG12 ' SD ' ' B' ' 8' ' ' MET . 47.4 t -56.4 -51.54 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 120.61 1.55 . . . . 0.0 109.203 165.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -58.09 -33.35 69.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.753 0.706 . . . . 0.0 112.865 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.12 -27.7 68.25 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.342 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.45 -47.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 121.329 1.877 . . . . 0.0 112.026 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -59.09 -37.73 77.81 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.846 1.203 . . . . 0.0 110.671 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -47.11 84.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.226 0.61 . . . . 0.0 110.977 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.39 -40.32 77.94 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.43 1.092 . . . . 0.0 112.236 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -60.41 -11.66 7.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.675 1.59 . . . . 0.0 114.662 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -16.43 61.75 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.852 1.205 . . . . 0.0 112.366 168.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 0.8 OUTLIER 40.18 1.55 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 2 C-N-CA 132.901 4.48 . . . . 0.0 121.946 172.798 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.36 -20.93 64.91 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.885 1.675 . . . . 0.0 114.649 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -152.62 -120.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.764 0.826 . . . . 0.0 109.251 155.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -44.59 61.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.108 0.867 . . . . 0.0 110.371 165.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HD3' ' H ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -137.39 -68.81 0.47 Allowed 'General case' 0 CA--C 1.536 0.433 1 C-N-CA 133.873 4.869 . . . . 0.0 107.099 175.464 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.447 ' H ' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -167.66 96.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 130.681 3.592 . . . . 0.0 105.084 175.133 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.84 -12.43 83.03 Favored Glycine 0 CA--C 1.534 1.229 0 O-C-N 121.68 -0.638 . . . . 0.0 113.224 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.07 -24.99 21.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.696 1.598 . . . . 0.0 113.462 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.36 1.864 . . . . 0.0 108.891 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 16.0 p -152.27 -171.05 3.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.376 3.471 . . . . 0.0 107.039 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -65.44 -50.58 64.89 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 123.883 3.038 . . . . 0.0 110.114 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.32 -48.25 68.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.703 2.001 . . . . 0.0 112.672 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -78.79 -22.32 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.701 -1.143 . . . . 0.0 113.747 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.78 67.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 121.447 1.93 . . . . 0.0 110.411 169.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.19 78.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.536 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.413 ' SD ' HG12 ' A' ' 78' ' ' VAL . 76.1 mtm -68.52 -23.28 64.52 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 173.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.48 -44.81 22.45 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.477 -1.179 . . . . 0.0 110.573 159.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 30.8 mtt -69.44 -36.52 76.72 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.778 1.289 . . . . 0.0 113.68 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.43 0.0 OUTLIER -77.83 -9.6 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 171.09 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -87.24 -21.44 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.988 0 C-N-CA 125.128 1.371 . . . . 0.0 110.997 157.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -78.07 -34.23 50.39 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.147 -1.596 . . . . 0.0 112.644 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.01 -36.84 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 119.233 0.924 . . . . 0.0 112.142 164.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -73.83 -39.12 64.26 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.48 -0.763 . . . . 0.0 109.997 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -71.42 3.46 3.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.248 2.219 . . . . 0.0 113.348 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -71.85 0.28 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.844 1.202 . . . . 0.0 108.271 157.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -40.29 17.05 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -165.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 p -73.71 -1.29 18.48 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.479 165.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 4.48 0.01 OUTLIER Glycine 0 N--CA 1.476 1.312 1 C-N-CA 131.789 4.518 . . . . 0.0 120.575 -161.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -149.97 -61.47 0.21 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 148.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.45 ' HB3' ' H ' ' B' ' 26' ' ' GLN . 3.9 mt-10 -139.24 165.42 27.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.943 0.897 . . . . 0.0 108.952 139.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.25 21.14 3.14 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 126.177 1.846 . . . . 0.0 112.094 167.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.34 -163.71 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.876 1 C-N-CA 132.207 4.203 . . . . 0.0 104.584 -141.171 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -90.25 81.87 6.05 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.399 -1.438 . . . . 0.0 108.398 146.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.45 ' H ' ' HB3' ' B' ' 22' ' ' GLU 0.27 4.4 pt20 20.92 63.16 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 130.364 3.466 . . . . 0.0 115.978 -167.32 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -125.98 -176.33 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 127.884 2.473 . . . . 0.0 108.315 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.97 98.9 8.41 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.315 1.446 . . . . 0.0 108.455 158.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -69.47 148.72 49.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 109.74 162.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -48.16 -35.51 11.8 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.215 1.806 . . . . 0.0 113.418 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.43 65.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.424 -1.209 . . . . 0.0 115.117 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.46 -44.57 11.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.267 1.534 . . . . 0.0 109.706 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG13 ' B' ' 54' ' ' VAL . 9.8 tt -43.93 -49.63 8.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.846 2.859 . . . . 0.0 112.062 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -51.48 -41.45 60.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.66 -30.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 118.672 0.669 . . . . 0.0 111.238 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.1 -40.28 82.64 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.386 1.875 . . . . 0.0 111.616 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.484 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.3 mmt -64.95 -25.36 67.84 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.148 0.979 . . . . 0.0 112.968 -172.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -25.17 64.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.471 1.108 . . . . 0.0 112.782 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -107.22 -43.35 4.62 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 126.061 1.744 . . . . 0.0 111.086 -165.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -120.37 -9.12 9.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.392 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.505 ' CD1' HD21 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -117.6 31.08 0.15 Allowed Pre-proline 0 CA--C 1.565 1.53 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 168.649 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -39.14 117.86 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 123.548 2.832 . . . . 0.0 114.033 165.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -41.56 1.81 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.975 1.274 . . . . 0.0 112.799 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' B' ' 41' ' ' LEU . 97.2 m-85 -69.45 -20.49 63.76 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.325 1.562 . . . . 0.0 111.632 170.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -7.44 15.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.117 2.567 . . . . 0.0 113.52 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.8 -29.08 66.57 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.298 1.408 . . . . 0.0 111.782 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -100.26 -64.37 1.05 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.688 0.795 . . . . 0.0 109.516 159.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 -8.14 3.63 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 117.519 -1.712 . . . . 0.0 116.283 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.653 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.283 0.0 OUTLIER -160.7 -100.39 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.331 2.065 . . . . 0.0 112.27 167.459 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.653 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 1.9 m-20 52.25 19.74 1.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.652 3.181 . . . . 0.0 114.838 170.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.04 -7.17 0.22 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.343 2.657 . . . . 0.0 114.583 -167.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -131.64 6.78 4.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.444 1.498 . . . . 0.0 114.719 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.4 174.1 10.77 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.057 -1.027 . . . . 0.0 109.428 147.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.434 HG13 HD22 ' B' ' 33' ' ' LEU . 72.3 t 61.41 -57.15 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.278 1.831 . . . . 0.0 110.934 -161.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.73 -37.03 17.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.677 2.391 . . . . 0.0 113.697 164.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -95.88 -5.19 42.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.41 1.084 . . . . 0.0 113.736 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.18 2.92 55.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.224 1.009 . . . . 0.0 110.247 161.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.83 -78.65 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.262 2.625 . . . . 0.0 108.861 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -50.55 10.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.71 2.004 . . . . 0.0 114.502 -170.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -11.34 3.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.724 2.41 . . . . 0.0 114.409 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.597 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.3 OUTLIER -127.04 -35.71 2.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.393 1.877 . . . . 0.0 112.782 174.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -6.29 0.75 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.575 1.55 . . . . 0.0 113.35 167.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.96 -23.3 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.782 -1.199 . . . . 0.0 113.782 158.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.96 -3.85 56.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 125.592 1.557 . . . . 0.0 112.854 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.21 -102.87 0.77 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 127.098 2.285 . . . . 0.0 112.336 -174.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.79 -83.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.27 1.828 . . . . 0.0 110.765 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.44 25.95 2.0 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.623 2.369 . . . . 0.0 111.422 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -139.0 91.74 2.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.882 2.073 . . . . 0.0 109.925 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.97 125.12 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.433 1.893 . . . . 0.0 112.289 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.262 0.4 OUTLIER -87.04 169.4 12.45 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 120.294 1.406 . . . . 0.0 113.906 166.642 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -38.48 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.107 1.363 . . . . 0.0 113.571 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 76' ' ' VAL . 95.4 p -66.21 -54.14 28.72 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 110.101 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.1 -49.43 63.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.198 2.599 . . . . 0.0 110.517 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -53.79 -61.15 2.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.05 171.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -37.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 119.631 1.105 . . . . 0.0 112.93 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 72' ' ' SER . 0.5 OUTLIER -60.89 -48.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 119.863 1.211 . . . . 0.0 111.318 174.224 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.597 ' CG ' HD22 ' B' ' 61' ' ' LEU . 2.2 t80 -74.53 -24.77 59.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 8' ' ' MET . 83.7 t -56.68 -46.64 83.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.997 0.817 . . . . 0.0 109.377 167.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -65.56 -10.78 38.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 169.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.12 24.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.807 1.185 . . . . 0.0 111.884 162.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.27 -44.28 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 119.986 1.266 . . . . 0.0 111.651 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.456 HG21 HG12 ' A' ' 75' ' ' ILE . 12.7 t -65.27 -6.04 8.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 170.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.4 p -98.73 -29.45 13.0 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.53 1.132 . . . . 0.0 111.784 167.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.0 92.16 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.986 -1.071 . . . . 0.0 111.207 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 87.8 p -76.58 9.59 2.65 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.418 ' HA ' HG23 ' B' ' 92' ' ' THR . 39.9 p-80 -49.86 -25.3 3.03 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -49.41 -17.24 0.26 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.922 2.089 . . . . 0.0 114.571 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -60.49 -13.22 12.52 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 168.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -154.49 -117.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.863 1.665 . . . . 0.0 109.312 146.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -76.13 -35.45 59.26 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.541 1.064 . . . . 0.0 110.159 153.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -124.49 -29.84 3.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 -169.404 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.418 HG23 ' HA ' ' B' ' 86' ' ' HIS . 13.5 p 122.76 60.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 1 C-N-CA 131.872 4.069 . . . . 0.0 109.164 -159.011 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.24 -7.52 14.35 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.527 1.061 . . . . 0.0 115.599 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.27 -19.42 63.11 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.892 1.346 . . . . 0.0 112.183 164.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.97 0 C-N-CA 126.73 2.012 . . . . 0.0 110.789 172.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 p -151.24 -177.71 6.21 Favored 'General case' 0 N--CA 1.474 0.739 1 C-N-CA 132.54 4.336 . . . . 0.0 106.966 -172.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HB2' HD22 ' A' ' 4' ' ' LEU . 17.5 mm-40 -52.34 -44.55 65.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.627 1.558 . . . . 0.0 113.285 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 3' ' ' GLU . 1.6 mm? -102.34 -21.95 14.21 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -173.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' OE1' ' OG ' ' B' ' 85' ' ' SER . 95.9 mt-10 -64.05 -34.11 77.28 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.847 -1.158 . . . . 0.0 111.014 158.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.48 -23.05 37.64 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.792 1.178 . . . . 0.0 112.816 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.57 79.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 120.313 1.415 . . . . 0.0 109.603 158.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.572 ' SD ' HG12 ' B' ' 78' ' ' VAL . 8.2 mtm -59.89 -36.25 76.57 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 166.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.53 -28.76 5.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 117.624 -1.653 . . . . 0.0 114.052 162.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -82.72 -29.27 29.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.815 2.308 . . . . 0.0 113.755 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -87.49 -28.3 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.589 -1.319 . . . . 0.0 112.794 173.536 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.86 -38.58 80.91 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.291 153.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 28.8 t70 -56.52 -51.48 68.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 121.512 1.96 . . . . 0.0 111.522 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG12 HD11 ' A' ' 36' ' ' LEU . 54.0 t -45.33 -33.21 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.293 0.952 . . . . 0.0 112.358 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 28' ' ' LEU . 8.8 t80 -86.73 -27.93 23.36 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.432 1.893 . . . . 0.0 114.866 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.79 -27.87 65.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.056 2.542 . . . . 0.0 113.052 160.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.448 HH22 ' CD ' ' B' ' 3' ' ' GLU . 6.7 mtm180 -82.91 -61.81 1.77 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 112.649 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -81.82 -61.98 1.77 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.295 0.638 . . . . 0.0 112.399 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -3.02 3.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.236 1.814 . . . . 0.0 114.247 166.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 4.05 56.22 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.542 1.068 . . . . 0.0 114.848 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m 113.73 -68.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 1 C-N-CA 132.64 4.376 . . . . 0.0 107.345 -173.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -156.99 72.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 126.473 1.909 . . . . 0.0 108.195 167.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.78 -15.76 58.25 Favored Glycine 0 CA--C 1.536 1.366 0 CA-C-O 117.413 -1.771 . . . . 0.0 112.364 159.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.485 0.6 OUTLIER -3.13 13.77 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 2 C-N-CA 138.739 6.816 . . . . 0.0 121.813 -156.711 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 p -60.03 -58.56 8.03 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.079 2.152 . . . . 0.0 109.234 126.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -80.33 68.18 6.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 124.312 2.006 . . . . 0.0 109.836 162.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 10.6 p -73.01 161.65 30.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 112.36 -2.2 . . . . 0.0 109.308 142.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.2 mp -72.66 71.21 0.98 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.097 0.951 . . . . 0.0 110.2 162.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -50.23 148.03 3.81 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 146.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -38.94 -36.53 0.29 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.652 2.381 . . . . 0.0 113.84 172.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.74 -28.22 51.71 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.758 1.17 . . . . 0.0 115.228 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.2 -42.43 13.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.356 1.462 . . . . 0.0 110.276 172.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 54' ' ' VAL . 8.8 tt -45.28 -40.81 7.98 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 126.84 2.056 . . . . 0.0 112.098 175.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -69.39 -40.4 77.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.1 -11.3 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -170.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 HG12 ' A' ' 14' ' ' VAL 0.275 13.9 tp -74.46 -29.72 61.58 Favored 'General case' 0 CA--C 1.544 0.728 1 C-N-CA 131.811 4.044 . . . . 0.0 112.185 164.764 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -97.75 -20.52 17.52 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 119.589 -1.944 . . . . 0.0 113.362 -158.371 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.04 -30.78 71.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.44 1.018 . . . . 0.0 110.848 163.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -95.93 -55.06 3.11 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 127.834 2.454 . . . . 0.0 110.522 -164.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.9 -12.44 11.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.587 1.555 . . . . 0.0 111.789 -165.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' HE1' ' A' ' 37' ' ' MET . 6.0 mp -126.57 38.32 0.41 Allowed Pre-proline 0 CA--C 1.562 1.422 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -52.63 138.21 58.58 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 122.175 1.813 . . . . 0.0 112.914 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.09 -31.73 7.38 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.694 1.14 . . . . 0.0 113.996 -172.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.65 -18.51 64.03 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.606 1.703 . . . . 0.0 110.23 165.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -75.24 0.49 16.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.079 2.552 . . . . 0.0 114.49 172.532 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.93 -17.85 62.36 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.712 0.805 . . . . 0.0 112.499 163.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -103.86 -57.97 1.95 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.766 1.226 . . . . 0.0 110.323 153.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.47 15.38 52.54 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.396 0.0 OUTLIER 89.78 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 129.959 3.303 . . . . 0.0 112.682 -174.1 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.38 -21.68 11.71 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.512 1.925 . . . . 0.0 112.2 168.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? 139.12 -25.82 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.2 5.0 . . . . 0.0 110.888 -165.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.28 -91.34 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.348 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.39 -175.26 5.62 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.902 1.683 . . . . 0.0 113.897 -167.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 33' ' ' LEU . 39.4 t 61.39 -58.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 127.69 2.396 . . . . 0.0 110.085 -158.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -48.63 -54.67 13.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.251 1.42 . . . . 0.0 110.898 156.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.8 3.52 11.7 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.43 -71.01 0.47 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 152.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 59' ' ' LYS . 1.7 tt -36.71 -60.67 0.59 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.415 1.486 . . . . 0.0 112.554 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.31 -24.66 12.34 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.524 2.33 . . . . 0.0 115.526 -175.293 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.37 10.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.818 1.247 . . . . 0.0 110.204 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -75.71 -37.4 59.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.562 1.145 . . . . 0.0 112.68 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -25.95 -38.2 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 132.885 4.474 . . . . 0.0 115.466 164.618 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.09 52.26 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -10.78 54.44 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.465 1.106 . . . . 0.0 111.739 -177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.17 -69.57 0.01 OUTLIER Glycine 0 C--N 1.341 0.839 0 CA-C-N 120.402 1.455 . . . . 0.0 114.377 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -152.6 -63.42 0.16 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -172.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.25 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 130.343 3.457 . . . . 0.0 107.451 -159.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.27 89.42 0.13 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.992 0.901 . . . . 0.0 109.724 156.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 HD12 ' A' ' 61' ' ' LEU . 4.0 t -65.95 122.54 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.032 3.333 . . . . 0.0 113.31 -174.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.49 -179.65 5.63 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 127.623 2.369 . . . . 0.0 113.644 166.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -67.48 -35.23 78.77 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.329 -1.482 . . . . 0.0 112.645 -166.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -60.1 -55.65 31.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.069 0.947 . . . . 0.0 109.996 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HB2' HG13 ' A' ' 69' ' ' VAL . 12.9 mt-10 -51.07 -51.77 49.95 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.119 1.368 . . . . 0.0 109.721 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.65 -67.76 0.3 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.343 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.444 HG12 HG21 ' B' ' 82' ' ' THR . 9.3 tp -57.46 -36.83 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 120.231 1.378 . . . . 0.0 113.172 -168.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.5 t -59.59 -48.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 0.0 110.721 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -80.25 -20.56 44.23 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.501 HG12 ' SD ' ' B' ' 8' ' ' MET . 50.9 t -56.61 -45.27 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.43 1.014 . . . . 0.0 108.57 168.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -59.11 -17.25 24.73 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 168.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.33 18.12 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.279 -1.513 . . . . 0.0 111.701 166.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -45.4 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 127.161 2.185 . . . . 0.0 111.039 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.8 t -54.18 -42.37 69.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.806 1.185 . . . . 0.0 112.401 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 m -69.95 -31.04 68.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.505 0.722 . . . . 0.0 111.433 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.82 58.65 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.668 1.587 . . . . 0.0 114.32 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.0 p -49.32 -22.67 1.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.409 2.284 . . . . 0.0 115.376 -176.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -56.15 -0.04 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.423 2.289 . . . . 0.0 115.851 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -51.36 -24.08 4.39 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.492 1.117 . . . . 0.0 113.286 164.454 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -89.41 -36.49 15.43 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.352 38.0 p90 38.3 -2.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.869 1 N-CA-C 121.918 4.044 . . . . 0.0 121.918 173.656 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -28.69 57.94 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.957 1.703 . . . . 0.0 112.512 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.71 10.06 4.68 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.424 2.69 . . . . 0.0 112.414 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.4 p 64.63 17.12 10.74 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.256 2.222 . . . . 0.0 113.69 -157.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.4 -39.59 0.47 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.533 1.539 . . . . 0.0 113.576 -168.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.3 tp 136.72 77.79 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.354 1 C-N-CA 136.803 6.041 . . . . 0.0 107.113 165.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.858 0 C-N-CA 125.87 1.668 . . . . 0.0 110.376 173.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -154.17 -171.83 4.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 131.544 3.938 . . . . 0.0 107.33 -163.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.448 ' CD ' HH22 ' A' ' 17' ' ' ARG . 42.7 tt0 -60.69 -53.92 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.361 2.346 . . . . 0.0 112.012 169.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -55.78 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.513 1.925 . . . . 0.0 111.079 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 68.2 mt-10 -72.26 -30.92 65.32 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.586 -175.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.46 62.75 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.934 1.697 . . . . 0.0 111.964 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.11 81.73 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 109.992 163.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.501 ' SD ' HG12 ' A' ' 78' ' ' VAL . 44.9 mtm -58.61 -35.56 72.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 169.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.16 -32.2 2.42 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.151 -1.361 . . . . 0.0 113.181 164.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 20.6 mtt -85.87 -20.56 28.9 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.575 1.688 . . . . 0.0 114.728 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -99.22 -28.66 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.209 1.368 . . . . 0.0 112.035 173.241 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.32 -38.17 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.358 146.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 18.0 t70 -68.45 -29.15 67.72 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 121.354 1.888 . . . . 0.0 114.776 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.95 -23.17 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 122.672 2.487 . . . . 0.0 110.92 165.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 9.5 t80 -97.78 -9.81 25.92 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 170.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -97.62 -8.06 29.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.095 1.758 . . . . 0.0 112.445 170.656 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -55.9 -81.0 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.372 3.069 . . . . 0.0 110.366 154.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.39 -59.56 1.86 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.328 0.585 . . . . 0.0 111.971 -162.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 m -78.71 20.3 0.46 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.781 164.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.74 -18.93 6.07 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 119.099 0.863 . . . . 0.0 112.341 151.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.8 m -40.53 -44.8 2.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.89 2.476 . . . . 0.0 114.44 155.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 29.32 37.06 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 131.086 3.754 . . . . 0.0 115.953 -167.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' B' ' 25' ' ' THR . . . -79.38 8.88 44.46 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 117.102 -1.944 . . . . 0.0 114.336 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.5 ' CB ' HG23 ' B' ' 27' ' ' THR 0.507 0.0 OUTLIER -32.42 42.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 120.262 3.43 . . . . 0.0 120.262 -110.783 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.445 ' H ' ' C ' ' B' ' 23' ' ' GLY . 64.1 m -69.38 -36.92 77.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 131.094 3.758 . . . . 0.0 109.358 146.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -124.89 88.95 2.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 129.141 2.976 . . . . 0.0 104.558 162.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.5 HG23 ' CB ' ' B' ' 24' ' ' SER . 69.0 p 15.81 142.07 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 2 C-N-CA 136.101 5.76 . . . . 0.0 118.954 51.163 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.68 81.01 0.07 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 153.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -60.46 151.54 28.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.074 147.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -47.57 -36.83 11.19 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.793 2.037 . . . . 0.0 113.493 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -21.29 63.78 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.606 1.098 . . . . 0.0 114.847 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -80.45 -49.46 11.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.044 1.337 . . . . 0.0 109.907 171.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.482 HD22 HG13 ' B' ' 54' ' ' VAL . 6.7 tt -43.74 -60.91 1.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.948 2.099 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -41.45 -52.2 3.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -164.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.38 -12.41 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.194 2.198 . . . . 0.0 114.12 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.06 -33.07 33.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.54 1.936 . . . . 0.0 111.174 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mmt -81.88 -27.26 33.56 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.322 0.649 . . . . 0.0 111.599 -166.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.59 -28.19 44.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.863 1.665 . . . . 0.0 112.528 164.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -102.23 -59.24 1.74 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 126.127 1.771 . . . . 0.0 109.801 -166.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -99.17 -18.54 17.61 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -164.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.335 0.0 OUTLIER -140.98 56.12 6.23 Favored Pre-proline 0 CA--C 1.563 1.444 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 164.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -44.72 -13.12 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 126.851 5.034 . . . . 0.0 120.433 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.59 -25.08 68.55 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 121.247 1.84 . . . . 0.0 113.706 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -74.4 -7.89 54.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.256 1.028 . . . . 0.0 113.662 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -5.0 59.28 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.084 1.354 . . . . 0.0 113.13 -172.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.42 -30.77 61.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.164 1.386 . . . . 0.0 111.216 156.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -90.83 -60.76 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.832 2.053 . . . . 0.0 110.482 166.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.49 8.23 2.55 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 163.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 123.15 120.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 1 C-N-CA 133.775 4.83 . . . . 0.0 111.104 174.368 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' B' ' 52' ' ' ASP . 36.7 t70 -144.29 24.02 1.62 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 0.0 111.663 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER 58.95 -30.08 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 O-C-N 119.345 -2.097 . . . . 0.0 115.39 -159.135 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 50' ' ' ASP . 14.9 m-20 -112.17 -5.46 14.22 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 131.159 3.783 . . . . 0.0 112.953 173.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' B' ' 47' ' ' SER . . . -120.8 165.71 14.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.194 0.998 . . . . 0.0 109.097 160.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.482 HG13 HD22 ' B' ' 33' ' ' LEU . 1.7 t 59.2 -50.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.157 0.983 . . . . 0.0 110.463 -141.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.31 -33.56 42.94 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 127.502 2.321 . . . . 0.0 115.641 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -92.02 -5.47 52.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 121.224 1.829 . . . . 0.0 112.387 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.449 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -92.87 6.77 46.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.845 1.258 . . . . 0.0 109.552 159.34 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.25 -72.95 0.7 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.08 2.552 . . . . 0.0 108.791 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -41.85 -33.28 0.5 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 130.236 3.414 . . . . 0.0 115.425 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -20.89 59.96 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.009 1.724 . . . . 0.0 114.697 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -122.13 -28.88 4.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.183 2.593 . . . . 0.0 112.397 -176.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.97 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.54 1 C-N-CA 132.683 4.393 . . . . 0.0 114.683 156.158 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.88 -33.28 0.19 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.07 1.748 . . . . 0.0 113.654 157.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.44 -25.12 61.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.868 2.067 . . . . 0.0 116.035 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.15 34.57 0.08 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.76 1.864 . . . . 0.0 117.76 -165.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 50.55 0.67 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 130.941 3.696 . . . . 0.0 118.573 169.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 68' ' ' GLN . . . 175.98 -11.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 129.509 3.124 . . . . 0.0 112.12 167.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.401 ' H ' ' H ' ' B' ' 67' ' ' ALA . 31.7 mt-30 -112.52 104.85 12.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.449 1.1 . . . . 0.0 109.366 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.508 HG11 HD12 ' B' ' 61' ' ' LEU . 38.0 t -88.03 119.75 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 129.115 2.966 . . . . 0.0 111.604 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.68 171.93 13.49 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.265 1.426 . . . . 0.0 114.124 162.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -54.18 -57.84 9.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.632 2.373 . . . . 0.0 114.092 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -61.0 -24.38 66.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.424 1.889 . . . . 0.0 112.754 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.29 -50.87 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 128.588 2.755 . . . . 0.0 108.956 -169.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' B' ' 78' ' ' VAL . 67.5 t80 -45.5 -55.35 6.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.179 156.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.266 0.4 OUTLIER -58.43 -36.9 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.767 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -47.86 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.812 1.642 . . . . 0.0 110.156 169.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.54 ' CG ' HD22 ' B' ' 61' ' ' LEU . 3.8 t80 -75.69 -27.65 58.35 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 ' SD ' ' A' ' 8' ' ' MET . 60.5 t -60.49 -48.24 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.125 -0.985 . . . . 0.0 108.556 170.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -62.09 -5.59 2.35 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 168.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.71 -43.5 9.55 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.677 1.126 . . . . 0.0 111.866 160.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.5 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 128.373 2.669 . . . . 0.0 111.791 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.446 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 6.0 t -50.54 -61.62 2.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.678 0.672 . . . . 0.0 111.452 168.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.408 ' H ' HG23 ' B' ' 82' ' ' THR . 27.7 p -58.67 -29.19 66.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.437 1.495 . . . . 0.0 113.636 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -64.92 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.131 1.372 . . . . 0.0 110.361 173.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.436 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 12.3 t -53.83 -42.25 68.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.759 1.623 . . . . 0.0 111.995 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -53.1 -12.25 0.34 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.132 2.173 . . . . 0.0 116.663 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.01 -53.02 0.57 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.141 1.776 . . . . 0.0 113.595 -164.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -141.04 57.95 1.54 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.811 1.244 . . . . 0.0 109.668 161.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -150.37 113.36 4.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.957 0.903 . . . . 0.0 111.981 -160.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 66.41 -55.96 0.39 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.922 2.089 . . . . 0.0 111.466 -173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.8 -58.93 0.5 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 129.837 3.255 . . . . 0.0 111.748 157.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -165.14 73.64 0.21 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.424 1.889 . . . . 0.0 108.568 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.6 85.11 0.04 OUTLIER Glycine 0 N--CA 1.476 1.342 0 C-N-CA 125.776 1.655 . . . . 0.0 113.93 -170.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.03 8.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.36 2.664 . . . . 0.0 116.046 -160.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 114.594 -2.622 . . . . 0.0 112.647 -168.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -159.42 -167.71 2.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.526 3.13 . . . . 0.0 107.341 -164.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.25 -55.94 28.46 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 122.265 2.302 . . . . 0.0 111.374 165.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.32 -47.36 81.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.926 2.091 . . . . 0.0 112.464 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -86.19 -21.78 27.3 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.115 -172.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.45 69.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.362 1.437 . . . . 0.0 109.638 162.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -55.59 23.74 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.568 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.319 1.2 ttt -69.59 -23.53 63.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.901 1.682 . . . . 0.0 114.226 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.83 -47.81 7.66 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 117.732 -1.594 . . . . 0.0 112.877 156.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 44.9 mtt -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.357 2.078 . . . . 0.0 113.809 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -26.82 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.598 1.09 . . . . 0.0 112.494 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.76 -24.52 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 118.067 0.394 . . . . 0.0 111.006 158.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 18.4 t70 -77.99 -43.12 30.54 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 120.398 -1.439 . . . . 0.0 113.287 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -59.9 -27.72 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.937 1.699 . . . . 0.0 111.988 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.0 t80 -69.24 -50.31 48.31 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.279 0.632 . . . . 0.0 110.597 165.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' N ' ' A' ' 21' ' ' SER . 15.4 m -56.96 -23.11 43.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.176 1.79 . . . . 0.0 115.109 174.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.415 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.2 OUTLIER -63.38 -65.07 0.73 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.848 1.659 . . . . 0.0 110.774 161.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -88.78 -46.45 8.97 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 -163.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 -4.41 58.09 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.941 1.246 . . . . 0.0 112.814 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.44 32.0 67.67 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 120.802 -1.186 . . . . 0.0 112.254 -165.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 16' ' ' SER . 7.5 m 79.53 -70.68 0.09 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 129.561 3.144 . . . . 0.0 107.882 -174.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -144.89 60.66 1.32 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.177 0.991 . . . . 0.0 110.198 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.27 -4.35 59.78 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.769 -1.017 . . . . 0.0 113.301 167.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.625 ' HA ' ' H ' ' A' ' 27' ' ' THR 0.437 3.3 m -0.67 5.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.881 2 C-N-CA 140.54 7.536 . . . . 0.0 122.822 -165.431 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 p -54.99 -56.08 23.71 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.846 1.258 . . . . 0.0 111.944 128.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -100.26 82.98 2.59 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 128.895 2.878 . . . . 0.0 106.483 163.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.625 ' H ' ' HA ' ' A' ' 24' ' ' SER . 45.4 p -6.85 138.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 2 C-N-CA 136.17 5.788 . . . . 0.0 121.027 69.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 15' ' ' PHE . 10.1 mp -66.45 78.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.046 1.739 . . . . 0.0 109.513 157.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 152.99 12.52 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 148.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -43.43 -33.68 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.582 2.353 . . . . 0.0 113.027 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -21.28 56.72 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.938 1.256 . . . . 0.0 115.405 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -87.29 -48.6 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.243 1.521 . . . . 0.0 109.749 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tt -41.59 -45.13 3.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 128.284 2.634 . . . . 0.0 113.159 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -60.76 -34.3 74.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t -74.88 -36.46 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.768 0.827 . . . . 0.0 110.706 -172.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.27 -47.72 78.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.796 2.038 . . . . 0.0 111.611 164.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.523 ' HB3' HD21 ' A' ' 45' ' ' LEU . 1.5 mmm -67.63 -27.51 66.94 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -166.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -62.03 -25.38 67.63 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.949 1.25 . . . . 0.0 112.262 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -105.61 -50.79 3.13 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 126.233 1.813 . . . . 0.0 109.729 -167.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.89 -12.19 14.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 113.344 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.99 29.76 0.18 Allowed Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.533 1.533 . . . . 0.0 114.623 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.48 136.17 74.3 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 122.26 1.843 . . . . 0.0 111.746 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.98 -36.39 4.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.473 -1.182 . . . . 0.0 112.579 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -62.94 -24.44 67.87 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.113 1.957 . . . . 0.0 110.738 162.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -71.44 -0.07 9.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.495 1.518 . . . . 0.0 114.86 173.014 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.53 -16.12 54.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.315 0.962 . . . . 0.0 112.129 158.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -102.79 -59.7 1.66 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.046 1.338 . . . . 0.0 110.609 159.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' HE3' ' A' ' 49' ' ' LYS . . . 75.76 -14.13 6.14 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 117.291 -1.838 . . . . 0.0 116.334 175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HE3' ' C ' ' A' ' 48' ' ' GLY 0.348 0.0 OUTLIER 146.46 97.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 1 C-N-CA 132.49 4.316 . . . . 0.0 112.164 171.878 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 52' ' ' ASP . 62.9 m-20 -115.12 23.94 12.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.385 1.074 . . . . 0.0 111.346 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.272 3.0 tmtt? 59.91 -12.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.179 1.792 . . . . 0.0 114.258 -163.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 50' ' ' ASP . 74.9 m-20 -114.76 14.52 17.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.3 1.84 . . . . 0.0 113.388 169.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.67 172.48 13.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.973 1.309 . . . . 0.0 109.579 152.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t 58.51 -55.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.507 -157.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -50.85 -47.32 60.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.259 1.823 . . . . 0.0 112.11 164.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -77.56 -30.91 52.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.05 -3.35 3.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.959 1.704 . . . . 0.0 111.351 169.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -111.53 -55.67 2.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.092 2.957 . . . . 0.0 110.387 167.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HE2' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -58.24 -27.68 64.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 116.846 -1.549 . . . . 0.0 114.642 -172.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -75.52 -11.65 60.07 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.346 1.029 . . . . 0.0 113.026 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD22 ' CG ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -133.81 -31.4 1.17 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.935 1.294 . . . . 0.0 114.207 -171.198 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -19.08 -43.61 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 129.382 3.073 . . . . 0.0 114.685 151.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -22.5 8.29 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -18.73 32.75 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.346 1.458 . . . . 0.0 111.641 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.24 -73.53 0.03 OUTLIER Glycine 0 CA--C 1.527 0.838 0 CA-C-N 120.164 1.347 . . . . 0.0 114.373 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -151.11 -61.04 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -169.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.05 -54.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 130.584 3.554 . . . . 0.0 107.362 -154.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -62.79 93.28 0.05 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.82 157.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.8 124.35 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.267 2.227 . . . . 0.0 113.21 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.14 179.42 5.07 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 128.418 2.687 . . . . 0.0 112.975 167.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -72.25 -32.23 66.49 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.349 -1.469 . . . . 0.0 113.302 -162.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 t -56.93 -55.43 34.66 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.648 0.779 . . . . 0.0 109.927 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.61 -50.34 70.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 109.893 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.72 -56.46 19.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.736 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.472 HG12 HG21 ' B' ' 82' ' ' THR . 5.8 tp -62.93 -33.56 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.063 1.301 . . . . 0.0 112.804 -173.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.24 -51.46 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.124 0.97 . . . . 0.0 111.035 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.622 ' CG ' HD22 ' A' ' 61' ' ' LEU . 33.7 t80 -57.9 -43.57 86.22 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.936 0.789 . . . . 0.0 112.705 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.14 -48.64 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.679 1.992 . . . . 0.0 110.743 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.56 36.26 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.52 -41.74 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.719 1.145 . . . . 0.0 111.888 160.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 77' ' ' PHE . 18.2 mm -50.7 -45.61 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.495 1.918 . . . . 0.0 112.528 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HG12 ' B' ' 75' ' ' ILE . 9.9 t -54.4 -11.36 0.51 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 171.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -106.96 -44.58 4.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.287 1.435 . . . . 0.0 110.853 166.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.07 -4.85 23.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.83 2.052 . . . . 0.0 114.79 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -47.29 -25.91 1.1 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.086 1.354 . . . . 0.0 112.623 166.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -60.64 -2.12 0.48 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.35 -5.64 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 119.483 3.142 . . . . 0.0 119.483 -163.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.13 -1.99 4.56 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.58 1.536 . . . . 0.0 115.018 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 57.83 -41.46 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 131.385 3.874 . . . . 0.0 117.447 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -39.05 67.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.781 1.633 . . . . 0.0 114.253 -177.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 21.28 16.91 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.183 1.793 . . . . 0.0 111.896 173.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.322 1.6 p 38.15 53.32 1.67 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.014 1.726 . . . . 0.0 112.738 -149.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.63 -63.84 0.45 Allowed Glycine 0 C--N 1.344 0.995 0 C-N-CA 127.632 2.539 . . . . 0.0 114.722 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.75 10.02 0.22 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.042 2.137 . . . . 0.0 113.607 176.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.918 0 C-N-CA 127.02 2.128 . . . . 0.0 109.656 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -148.72 -172.02 4.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 131.237 3.815 . . . . 0.0 106.672 -174.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.415 ' CD ' HH22 ' A' ' 17' ' ' ARG . 32.3 tt0 -60.36 -53.68 54.75 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 123.367 2.803 . . . . 0.0 110.114 167.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -46.76 84.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.193 0.597 . . . . 0.0 111.579 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -74.31 -33.45 63.19 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.748 -1.12 . . . . 0.0 112.239 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.28 -23.64 54.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.826 1.648 . . . . 0.0 112.188 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.27 91.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.211 0.914 . . . . 0.0 111.053 165.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.497 ' HA ' HD12 ' B' ' 11' ' ' ILE . 69.1 mtm -65.92 -28.24 68.78 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 0.0 113.372 163.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.73 39.31 Favored Glycine 0 C--O 1.217 -0.908 0 CA-C-O 117.765 -1.575 . . . . 0.0 111.613 160.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -65.23 -32.11 73.61 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.061 1.931 . . . . 0.0 112.779 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 8' ' ' MET . 42.6 mt -71.62 -49.79 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.298 -0.876 . . . . 0.0 110.833 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.87 -33.22 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.593 1.557 . . . . 0.0 110.53 170.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.78 -38.78 73.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.865 1.266 . . . . 0.0 112.808 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -61.14 -32.8 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.945 1.248 . . . . 0.0 111.199 168.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 35.1 t80 -65.18 -50.16 67.02 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.163 -0.961 . . . . 0.0 111.029 163.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -66.52 -2.06 4.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.945 2.098 . . . . 0.0 116.264 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -54.72 11.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.631 1.972 . . . . 0.0 109.569 160.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.15 -68.96 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.454 1.502 . . . . 0.0 110.761 -165.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.496 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 43.9 m -77.27 2.61 15.12 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 171.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.07 -21.73 1.87 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.527 0.584 . . . . 0.0 114.158 150.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.7 m -52.18 -41.63 62.79 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.82 1.648 . . . . 0.0 113.32 162.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' B' ' 23' ' ' GLY 0.254 0.0 OUTLIER 42.19 -170.61 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.204 2.602 . . . . 0.0 113.968 -162.124 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.412 ' H ' ' CD ' ' B' ' 22' ' ' GLU . . . 94.02 -1.4 67.78 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.672 1.606 . . . . 0.0 113.099 -171.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . 0.326 0.0 OUTLIER 44.29 1.05 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.134 1 C-N-CA 133.876 4.87 . . . . 0.0 120.526 162.828 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 37.5 p -51.52 -31.94 25.92 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.301 1.841 . . . . 0.0 112.348 120.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 27' ' ' THR . 39.4 mt-30 -131.37 101.35 5.5 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.56 1.544 . . . . 0.0 110.09 169.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' B' ' 26' ' ' GLN . 67.2 p 47.67 142.48 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 2 C-N-CA 138.249 6.619 . . . . 0.0 119.668 7.285 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.94 77.23 0.22 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 160.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -60.45 153.76 22.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 149.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -51.53 -27.31 10.39 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.219 1.808 . . . . 0.0 113.129 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.09 -24.89 53.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.779 1.181 . . . . 0.0 115.088 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.64 -45.88 12.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.073 1.436 . . . . 0.0 109.932 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' C ' ' B' ' 33' ' ' LEU . 6.3 tt -54.72 -33.38 61.0 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.15 1.78 . . . . 0.0 114.409 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -59.63 -48.57 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.51 -1.369 . . . . 0.0 113.614 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.23 -11.04 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.457 1.903 . . . . 0.0 112.269 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.39 -40.17 62.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 111.594 162.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mmm -67.77 -48.02 67.57 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.532 1.06 . . . . 0.0 112.434 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.84 7.19 0.13 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.486 2.714 . . . . 0.0 114.213 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -147.18 -56.83 0.25 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 129.363 3.065 . . . . 0.0 108.938 -158.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.18 -13.33 15.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.0 39.41 0.48 Allowed Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -35.59 131.85 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.829 3.02 . . . . 0.0 116.287 162.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -32.4 7.41 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.562 1.553 . . . . 0.0 113.732 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.52 -17.42 62.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.83 1.315 . . . . 0.0 111.593 161.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -68.14 -3.76 11.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.497 1.919 . . . . 0.0 113.942 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -53.59 -26.67 22.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.442 1.097 . . . . 0.0 112.844 163.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -105.81 -32.91 8.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.991 1.316 . . . . 0.0 112.615 169.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.77 0.69 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.429 1.966 . . . . 0.0 116.103 167.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.72 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.222 1.809 . . . . 0.0 113.059 168.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 p30 41.41 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 131.632 3.973 . . . . 0.0 119.205 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER 71.89 -7.01 1.35 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.962 2.505 . . . . 0.0 114.282 -174.554 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 -12.32 8.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.954 1.702 . . . . 0.0 114.808 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' B' ' 47' ' ' SER . . . -104.77 -46.26 4.36 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.561 1.528 . . . . 0.0 113.218 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.11 -31.25 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 161.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.51 -22.57 62.62 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.092 1.757 . . . . 0.0 114.412 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.88 -34.3 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.558 1.527 . . . . 0.0 110.662 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.426 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.6 mm? -65.44 -9.25 23.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.124 0.57 . . . . 0.0 112.233 158.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -85.96 -73.79 0.44 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.985 1.314 . . . . 0.0 109.796 159.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -47.49 -35.35 8.61 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.423 3.489 . . . . 0.0 115.454 -168.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.43 -53.57 55.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.375 0.67 . . . . 0.0 111.786 171.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.641 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -83.98 -46.47 12.03 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.904 1.681 . . . . 0.0 112.059 -174.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -29.02 -37.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 131.583 3.953 . . . . 0.0 114.936 168.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.97 -24.8 7.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.575 1.55 . . . . 0.0 115.101 171.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -6.24 58.45 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.654 1.982 . . . . 0.0 111.473 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.23 -72.13 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 CA-C-N 120.074 1.306 . . . . 0.0 114.832 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.34 -60.82 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.415 1.086 . . . . 0.0 111.786 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 149.53 -46.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 130.531 3.532 . . . . 0.0 109.298 -158.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -63.5 89.79 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.391 0.677 . . . . 0.0 110.497 157.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.414 HG11 HD12 ' B' ' 61' ' ' LEU . 2.3 t -73.03 114.96 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.816 1.646 . . . . 0.0 113.187 -171.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.69 167.85 18.98 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.909 2.483 . . . . 0.0 113.649 166.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -62.77 -33.99 76.31 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.909 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -61.9 -46.05 91.08 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.734 1.152 . . . . 0.0 111.232 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.74 -52.31 66.22 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.133 1.373 . . . . 0.0 109.929 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.24 -60.2 3.97 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.388 0.675 . . . . 0.0 112.256 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.625 HG12 HG21 ' A' ' 82' ' ' THR . 9.5 tp -57.3 -40.23 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.596 1.089 . . . . 0.0 112.837 -175.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.13 -47.52 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.44 0.696 . . . . 0.0 111.081 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.13 -14.94 54.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.446 HG12 ' SD ' ' A' ' 8' ' ' MET . 67.9 t -62.2 -34.22 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 120.139 1.336 . . . . 0.0 109.424 162.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 0.3 7.55 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 166.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 -47.5 5.84 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.535 1.061 . . . . 0.0 110.315 158.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -31.16 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.451 1.9 . . . . 0.0 111.183 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.472 HG21 HG12 ' A' ' 75' ' ' ILE . 6.5 t -55.23 -24.53 28.01 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.594 1.558 . . . . 0.0 114.118 172.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 81.1 p -89.45 -43.37 10.9 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.521 1.528 . . . . 0.0 110.816 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.58 -24.05 67.34 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.271 -0.893 . . . . 0.0 112.858 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 72.0 m -54.62 -20.86 8.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.75 2.82 . . . . 0.0 113.631 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -57.25 -44.56 83.97 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.732 2.013 . . . . 0.0 113.596 167.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp 54.08 -15.25 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.154 2.982 . . . . 0.0 117.753 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -146.16 -30.78 0.38 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.202 1.801 . . . . 0.0 113.82 170.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.352 0.6 OUTLIER 66.89 -12.54 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 118.116 2.636 . . . . 0.0 118.116 166.65 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -42.69 -39.12 2.29 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 120.558 1.526 . . . . 0.0 112.081 159.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -125.43 -2.84 7.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.962 2.905 . . . . 0.0 112.514 -169.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.293 60.2 p 61.1 14.7 5.64 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 120.807 -1.183 . . . . 0.0 114.044 -139.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.11 -91.71 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 C-N-CA 128.516 2.96 . . . . 0.0 116.246 160.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.0 -11.01 59.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 117.82 0.81 . . . . 0.0 112.347 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.168 1.787 . . . . 0.0 110.676 164.295 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 24.9 ttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.3 p -149.67 -175.28 4.96 Favored 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.525 4.33 . . . . 0.0 106.746 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.53 -29.18 58.45 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 123.323 2.783 . . . . 0.0 111.861 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -99.45 -42.37 6.98 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 126.45 1.9 . . . . 0.0 109.992 -166.227 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.3 mt-10 -67.7 -17.82 64.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.356 162.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 -31.95 25.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.681 1.582 . . . . 0.0 112.328 167.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.94 88.65 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.118 1.326 . . . . 0.0 110.779 163.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.524 ' SD ' HG12 ' B' ' 78' ' ' VAL . 74.7 mtm -64.47 -35.2 80.17 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 165.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.54 -36.06 17.18 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 117.598 -1.668 . . . . 0.0 112.69 164.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.8 mtt -73.16 -18.67 61.25 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.106 1.953 . . . . 0.0 113.406 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.321 0.2 OUTLIER -111.03 -21.31 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.724 1.147 . . . . 0.0 113.493 -176.753 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -63.09 -36.86 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 110.271 145.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.75 -51.01 68.81 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 116.802 -1.571 . . . . 0.0 109.841 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.31 -50.23 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 120.936 1.698 . . . . 0.0 111.481 171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.41 -43.63 83.89 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.651 1.114 . . . . 0.0 113.866 170.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 m -67.03 -14.5 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.767 2.027 . . . . 0.0 113.518 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mtm-85 -89.85 -43.31 10.71 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.952 1.701 . . . . 0.0 110.957 169.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.62 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -98.32 -23.28 15.69 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -168.394 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 p -82.71 -22.7 34.38 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.67 0.388 . . . . 0.0 111.652 148.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.61 -5.96 48.97 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.205 1.383 . . . . 0.0 115.655 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m 122.3 -68.54 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.1 1 C-N-CA 132.042 4.137 . . . . 0.0 106.784 -164.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -138.68 146.06 41.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.577 1.151 . . . . 0.0 109.545 153.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.9 -73.38 0.34 Allowed Glycine 0 C--N 1.339 0.702 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 170.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.423 ' OG ' ' OE1' ' A' ' 32' ' ' GLU . 4.5 m -58.81 -21.52 56.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 167.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 p 96.46 127.21 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 130.395 3.478 . . . . 0.0 106.142 -139.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.29 2.8 pp0? -56.5 86.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 124.417 2.056 . . . . 0.0 114.472 -152.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -165.32 166.29 18.79 Favored 'General case' 0 N--CA 1.444 -0.736 1 C-N-CA 132.075 4.15 . . . . 0.0 105.178 -172.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.26 125.09 47.25 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.002 1.273 . . . . 0.0 111.566 162.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -70.68 158.28 36.51 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.303 1.049 . . . . 0.0 111.609 156.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -50.84 -33.05 22.15 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.065 2.546 . . . . 0.0 114.079 -175.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -93.62 -20.05 32.99 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.494 1.045 . . . . 0.0 115.256 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' OE1' ' OG ' ' A' ' 24' ' ' SER . 77.8 tt0 -74.7 -42.95 57.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.083 1.353 . . . . 0.0 109.309 170.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.79 -50.42 60.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.522 2.329 . . . . 0.0 113.649 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -29.94 70.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -164.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -61.34 -27.49 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.224 0.92 . . . . 0.0 112.605 -173.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 18' ' ' TYR . 15.3 tp -72.0 -39.33 69.31 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.561 1.945 . . . . 0.0 112.435 174.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtt -79.62 -16.02 56.58 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.886 -0.509 . . . . 0.0 112.114 -157.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -59.54 -32.23 70.14 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.324 1.049 . . . . 0.0 112.154 161.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -100.0 -54.85 2.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.71 2.004 . . . . 0.0 109.922 -167.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 36' ' ' LEU . 32.0 mm-40 -102.87 -19.37 14.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.466 1.106 . . . . 0.0 113.57 -168.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -134.17 45.53 1.57 Allowed Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.45 153.65 40.12 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 121.408 1.539 . . . . 0.0 112.133 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 -34.38 4.99 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.518 1.056 . . . . 0.0 112.963 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -74.14 -7.25 51.94 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.967 1.383 . . . . 0.0 112.095 164.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -0.94 57.64 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.683 2.393 . . . . 0.0 114.327 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -68.09 -15.73 63.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.93 0.787 . . . . 0.0 112.004 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -94.32 -55.79 3.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.732 1.613 . . . . 0.0 110.66 156.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.21 -23.11 0.2 Allowed Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.328 1.918 . . . . 0.0 116.029 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -159.43 -44.06 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.545 2.738 . . . . 0.0 110.925 157.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 51' ' ' LYS 0.259 0.6 OUTLIER 19.23 -72.31 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.144 3.778 . . . . 0.0 115.339 -163.596 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -161.0 -18.29 0.05 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 131.185 3.794 . . . . 0.0 110.478 158.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' H ' ' H ' ' A' ' 51' ' ' LYS . 48.9 m-20 -109.42 -147.76 0.42 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 128.435 2.694 . . . . 0.0 110.311 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 41.39 -71.31 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 131.021 3.728 . . . . 0.0 117.24 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.3 -35.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.135 1.374 . . . . 0.0 110.899 163.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 28.0 t70 -67.13 -25.35 66.14 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 125.871 1.668 . . . . 0.0 114.253 169.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -94.77 -38.42 10.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.735 1.152 . . . . 0.0 110.836 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.29 -6.86 0.47 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.001 1.32 . . . . 0.0 113.524 157.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -99.23 -79.37 0.48 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.465 1.906 . . . . 0.0 109.443 159.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -39.88 14.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.406 2.282 . . . . 0.0 115.973 -170.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.333 0.969 . . . . 0.0 110.663 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.43 -43.43 8.75 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.319 1.847 . . . . 0.0 112.172 178.74 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -6.79 1.91 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.237 1.415 . . . . 0.0 113.274 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.59 -25.35 2.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.56 1.144 . . . . 0.0 113.479 159.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -80.01 -16.51 54.99 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.871 1.268 . . . . 0.0 113.723 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.21 -97.18 0.73 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.967 1.746 . . . . 0.0 112.332 -170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.8 -84.55 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.492 1.117 . . . . 0.0 110.329 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.8 25.91 1.42 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.019 1.727 . . . . 0.0 112.59 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -138.93 102.0 4.44 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.237 1.015 . . . . 0.0 112.293 168.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -65.14 109.47 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 128.555 2.742 . . . . 0.0 115.769 -166.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.24 164.93 24.7 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.202 1.401 . . . . 0.0 113.643 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -61.38 -33.57 73.88 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.719 -1.238 . . . . 0.0 113.694 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -60.4 -46.68 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.057 1.343 . . . . 0.0 110.099 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.1 mt-10 -67.47 -49.17 64.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 127.556 2.343 . . . . 0.0 108.493 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.17 -60.79 2.89 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 117.963 -1.017 . . . . 0.0 112.122 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.405 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -57.99 -41.79 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 120.054 1.297 . . . . 0.0 112.452 -173.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.44 -50.85 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.877 0.871 . . . . 0.0 111.259 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -80.68 -16.61 53.51 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' B' ' 8' ' ' MET . 48.6 t -56.32 -37.87 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 120.869 1.668 . . . . 0.0 109.675 163.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -9.77 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 169.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.79 -44.97 11.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 110.743 161.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.23 -44.55 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.956 2.103 . . . . 0.0 111.155 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t -51.59 -50.75 59.55 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.917 0.781 . . . . 0.0 111.271 170.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 p -68.85 -16.24 63.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -45.81 22.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.238 -0.914 . . . . 0.0 110.546 165.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -71.36 -43.69 66.45 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.52 1.528 . . . . 0.0 113.828 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.99 9.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.184 3.394 . . . . 0.0 118.797 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -67.88 70.65 0.14 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.873 2.469 . . . . 0.0 113.02 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 81.46 -15.67 0.7 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.25 3.02 . . . . 0.0 118.183 154.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -111.07 -119.64 0.29 Allowed 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.547 1.976 . . . . 0.0 115.335 -168.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -60.71 -17.54 48.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 121.656 2.026 . . . . 0.0 111.669 167.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 32.3 mttp -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.449 -0.522 1 C-N-CA 134.63 5.172 . . . . 0.0 114.284 170.135 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 m -150.75 -63.34 0.19 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.115 1.366 . . . . 0.0 110.77 -173.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.31 -31.08 4.53 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.431 1.967 . . . . 0.0 116.183 -177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.83 34.1 1.98 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.246 1.023 . . . . 0.0 113.172 169.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 116.266 -1.826 . . . . 0.0 115.011 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.449 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -140.21 -110.15 0.15 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.466 1.106 . . . . 0.0 112.673 -160.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -123.39 -49.89 1.9 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.72 2.008 . . . . 0.0 107.508 157.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.85 -58.43 4.38 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.444 1.097 . . . . 0.0 111.312 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 88.6 mt-10 -72.35 -31.37 65.57 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.181 -0.949 . . . . 0.0 112.021 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.85 -34.59 51.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.117 0.871 . . . . 0.0 112.83 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.42 79.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.619 160.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 78' ' ' VAL 0.255 1.3 ttt -66.92 -25.3 66.3 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 170.538 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.48 -30.18 33.23 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.913 1.245 . . . . 0.0 113.673 160.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 13' ' ' ASP . 33.1 mtt -82.96 -13.38 56.11 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.698 1.999 . . . . 0.0 114.244 175.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.289 0.0 OUTLIER -106.15 -23.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 120.24 1.382 . . . . 0.0 113.009 169.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.52 -29.34 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 118.821 0.737 . . . . 0.0 109.624 150.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' B' ' 10' ' ' MET . 2.1 t70 -64.57 -22.09 66.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 173.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.73 -37.09 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.804 1.184 . . . . 0.0 110.55 167.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -80.09 -1.65 40.97 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.478 1.111 . . . . 0.0 113.027 168.779 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -101.32 -7.94 22.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.19 1.396 . . . . 0.0 112.818 165.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -71.59 0.44 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.968 1.707 . . . . 0.0 111.181 175.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -83.28 -85.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.31 0.504 . . . . 0.0 110.686 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -70.44 4.81 2.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.038 1.335 . . . . 0.0 113.163 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.2 -13.37 9.55 Favored Glycine 0 C--N 1.343 0.932 0 C-N-CA 128.361 2.886 . . . . 0.0 114.838 168.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.1 m -145.47 72.99 1.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.35 -1.088 . . . . 0.0 110.129 148.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 70.04 -179.99 0.24 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.931 1.692 . . . . 0.0 113.751 165.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.02 5.89 0.1 OUTLIER Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.764 1.65 . . . . 0.0 114.317 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.02 -15.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.113 1.365 . . . . 0.0 111.954 -151.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.454 HG22 ' H ' ' B' ' 26' ' ' GLN . 1.7 m 81.65 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -110.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.454 ' H ' HG22 ' B' ' 25' ' ' THR . 2.3 pt20 -111.28 81.57 1.46 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.738 1.608 . . . . 0.0 111.328 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 p -143.72 163.95 31.84 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 128.004 2.522 . . . . 0.0 107.003 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.8 mp -83.13 106.21 14.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.647 1.112 . . . . 0.0 108.713 158.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -78.0 153.95 31.93 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.338 -0.851 . . . . 0.0 110.614 157.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -51.41 -38.14 52.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.276 1.83 . . . . 0.0 113.127 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.47 -17.19 80.13 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.481 -1.177 . . . . 0.0 114.681 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -97.36 -44.18 6.99 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.094 1.447 . . . . 0.0 110.028 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -39.79 -52.87 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 128.858 2.863 . . . . 0.0 112.704 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -49.26 -41.39 37.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -69.69 -28.18 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.484 1.114 . . . . 0.0 111.804 -171.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -70.54 -43.81 68.78 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.199 2.199 . . . . 0.0 110.827 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 32.1 mmt -61.79 -36.3 80.67 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.933 0.893 . . . . 0.0 112.569 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.47 -33.95 46.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.97 1.308 . . . . 0.0 112.819 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.82 -43.29 6.81 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.069 1.748 . . . . 0.0 109.802 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -110.04 -17.16 13.65 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.131 0.973 . . . . 0.0 113.542 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -135.18 41.5 0.64 Allowed Pre-proline 0 CA--C 1.575 1.909 0 C-N-CA 127.32 2.248 . . . . 0.0 114.723 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -46.65 -17.93 0.44 Allowed 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 124.498 3.465 . . . . 0.0 119.506 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.99 -16.16 80.87 Favored Glycine 0 N--CA 1.471 0.97 0 O-C-N 120.392 -1.443 . . . . 0.0 114.978 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -98.76 -8.21 26.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -6.8 56.78 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.553 1.941 . . . . 0.0 113.486 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -66.77 -23.25 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.251 168.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 0.6 OUTLIER -88.84 -49.77 6.62 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.455 1.502 . . . . 0.0 111.292 158.219 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.69 -47.75 3.34 Favored Glycine 0 N--CA 1.469 0.889 0 CA-C-O 118.241 -1.311 . . . . 0.0 115.022 170.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER 146.29 101.06 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 1 C-N-CA 132.848 4.459 . . . . 0.0 112.687 166.317 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.68 68.61 1.5 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 157.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER 46.57 5.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.827 2.851 . . . . 0.0 116.467 -168.224 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 30.8 p-10 -83.42 -80.0 0.19 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.929 2.492 . . . . 0.0 110.589 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -100.42 -176.78 3.31 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.336 1.454 . . . . 0.0 110.248 171.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t 60.26 -55.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.639 1.576 . . . . 0.0 110.599 -151.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -49.71 -44.98 48.61 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.525 1.93 . . . . 0.0 112.093 163.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -10.97 54.46 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.997 1.272 . . . . 0.0 114.19 175.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.62 3.25 25.91 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.339 -0.851 . . . . 0.0 110.665 161.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.51 -70.13 0.82 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.043 2.137 . . . . 0.0 109.578 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -38.11 3.77 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 129.106 2.963 . . . . 0.0 115.181 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -41.66 96.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.332 1.453 . . . . 0.0 112.906 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -98.2 -39.88 8.65 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.999 2.12 . . . . 0.0 112.881 -174.545 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.12 -34.66 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 1 C-N-CA 131.869 4.067 . . . . 0.0 113.843 163.254 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.78 -28.82 1.66 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.275 1.83 . . . . 0.0 115.423 170.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -82.71 -20.1 36.72 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.49 1.041 . . . . 0.0 112.571 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.39 -86.01 0.58 Allowed Glycine 0 C--N 1.342 0.872 0 C-N-CA 124.127 0.87 . . . . 0.0 112.734 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -161.73 -41.44 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.834 1.654 . . . . 0.0 112.035 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 169.32 -39.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 131.115 3.766 . . . . 0.0 110.156 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.73 93.42 3.11 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.534 1.159 . . . . 0.0 110.399 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.08 108.43 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 128.052 2.541 . . . . 0.0 112.548 -171.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.01 165.29 11.22 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.833 0.853 . . . . 0.0 112.6 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -56.43 -32.53 64.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 112.41 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -63.7 -52.53 60.15 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.079 1.352 . . . . 0.0 110.089 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.53 -46.27 89.17 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.891 1.676 . . . . 0.0 109.33 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.16 -62.9 1.36 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.086 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 75' ' ' ILE . 6.8 tp -59.73 -39.07 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 119.715 1.143 . . . . 0.0 113.007 -174.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.01 -47.94 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.45 1.1 . . . . 0.0 111.637 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -89.89 -14.84 33.39 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' SD ' ' A' ' 8' ' ' MET . 56.1 t -55.23 -46.19 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 120.016 1.28 . . . . 0.0 108.941 160.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.53 30.39 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.87 16.47 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.855 1.207 . . . . 0.0 111.995 166.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -47.69 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 127.332 2.253 . . . . 0.0 110.503 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.405 HG21 HG12 ' A' ' 75' ' ' ILE . 4.1 t -51.31 -54.22 28.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.538 170.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -53.63 -47.99 69.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.177 0.899 . . . . 0.0 111.38 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.33 80.43 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -73.4 -42.64 61.86 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.45 1.477 . . . . 0.0 111.908 167.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -80.03 -33.26 39.32 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 -163.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -54.77 -7.72 0.19 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 -152.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -131.73 1.21 4.0 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 120.246 1.385 . . . . 0.0 113.223 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.258 15.3 t80 58.75 -35.01 0.05 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.233 3.413 . . . . 0.0 117.934 170.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.93 -30.84 66.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.184 1.356 . . . . 0.0 109.758 149.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -62.53 1.8 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.449 1.9 . . . . 0.0 112.269 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.0 t -73.14 -13.05 61.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.056 1.298 . . . . 0.0 113.424 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.33 -33.24 86.72 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.761 1.172 . . . . 0.0 111.926 166.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -81.45 -59.15 2.73 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.584 0.754 . . . . 0.0 111.503 164.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? . . . . . 0 C--O 1.249 1.038 0 CA-C-O 113.754 -3.022 . . . . 0.0 116.636 -177.315 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.7 p -146.79 -165.45 2.24 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.039 2.936 . . . . 0.0 109.471 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -54.33 -59.71 4.31 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.753 2.07 . . . . 0.0 110.145 165.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' B' ' 11' ' ' ILE . 8.4 tt -42.79 -67.48 0.27 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 128.026 2.531 . . . . 0.0 111.121 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 56.3 mt-10 -74.51 -32.72 62.59 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.44 -166.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.11 -38.95 51.17 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 119.82 1.191 . . . . 0.0 111.451 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.21 80.55 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 117.722 -1.132 . . . . 0.0 110.329 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.335 1.3 ttt -75.52 -2.04 27.1 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.42 62.26 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 118.008 -1.44 . . . . 0.0 112.219 154.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.4 mtp -62.03 -37.42 84.85 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.418 2.109 . . . . 0.0 113.547 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -80.9 -16.52 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.845 -1.159 . . . . 0.0 112.863 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.32 -36.45 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.803 1.183 . . . . 0.0 110.191 155.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.44 -36.83 66.96 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 119.675 1.125 . . . . 0.0 111.432 173.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -34.15 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 121.254 1.843 . . . . 0.0 113.296 172.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.44 -39.07 85.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.557 0.743 . . . . 0.0 110.45 170.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -26.54 68.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.816 1.647 . . . . 0.0 114.316 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . 16.3 mmt85 -75.19 -56.71 4.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.271 1.396 . . . . 0.0 110.563 169.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 98.6 m-85 -107.87 -19.11 13.63 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -161.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 p -82.32 -24.74 34.46 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.449 1.477 . . . . 0.0 109.484 148.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.23 62.99 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 120.637 -1.289 . . . . 0.0 114.885 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.3 m 125.21 -55.19 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.224 1 C-N-CA 132.085 4.154 . . . . 0.0 108.248 -166.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -143.88 135.08 25.68 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.937 2.495 . . . . 0.0 108.628 154.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.05 -15.02 3.2 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 124.321 0.963 . . . . 0.0 112.933 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.4 ' OG ' ' OE1' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -152.16 13.79 0.6 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.074 2.95 . . . . 0.0 110.625 -158.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 p 61.33 174.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.119 1.368 . . . . 0.0 111.558 -117.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -71.47 69.71 0.6 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.256 -2.153 . . . . 0.0 114.496 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p -144.26 154.82 43.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 126.209 1.804 . . . . 0.0 109.547 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.67 106.54 18.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.536 1.534 . . . . 0.0 109.589 161.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -71.1 160.39 32.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.664 0.665 . . . . 0.0 110.858 160.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -49.85 -39.74 40.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.401 1.48 . . . . 0.0 112.276 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.48 81.1 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.191 1.377 . . . . 0.0 115.626 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' OG ' ' A' ' 24' ' ' SER . 66.7 tt0 -102.94 -50.35 3.54 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.959 2.504 . . . . 0.0 108.725 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tt -42.64 -40.89 2.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.966 2.907 . . . . 0.0 113.151 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -59.25 -36.19 75.06 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.83 -32.33 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.453 1.101 . . . . 0.0 111.498 -169.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.35 -34.03 77.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.698 3.199 . . . . 0.0 112.397 170.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 mmt -79.85 -32.6 40.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 113.037 -161.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.83 -23.42 65.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.21 1.004 . . . . 0.0 112.596 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -107.5 -55.16 2.38 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.461 1.904 . . . . 0.0 109.906 -164.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -109.58 -8.29 15.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.665 1.186 . . . . 0.0 113.337 -168.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.36 32.29 0.22 Allowed Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 168.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -46.96 117.55 2.24 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.57 2.18 . . . . 0.0 113.611 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA2' ' HE2' ' A' ' 95' ' ' LYS . . . 131.5 -39.77 1.73 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.203 1.382 . . . . 0.0 113.244 -174.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.88 -19.15 65.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.332 1.566 . . . . 0.0 111.629 161.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -8.77 9.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.956 2.503 . . . . 0.0 113.855 168.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.38 -20.06 65.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.376 0.989 . . . . 0.0 112.464 162.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -111.73 -47.05 3.18 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.385 1.074 . . . . 0.0 110.311 167.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.53 -31.37 0.22 Allowed Glycine 0 N--CA 1.473 1.141 0 C-N-CA 126.594 2.045 . . . . 0.0 117.858 161.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 -74.54 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.004 2.122 . . . . 0.0 109.438 167.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.87 -76.78 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.329 1.852 . . . . 0.0 111.584 -165.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.57 -26.65 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 1 C-N-CA 134.408 5.083 . . . . 0.0 109.56 172.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -103.26 1.44 32.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.204 2.602 . . . . 0.0 113.752 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.47 165.61 12.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.288 1.404 . . . . 0.0 110.406 162.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t 60.41 -49.75 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.619 1.168 . . . . 0.0 110.138 -149.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.83 -40.12 20.33 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.216 3.006 . . . . 0.0 115.065 163.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -93.86 -9.21 38.05 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.003 1.274 . . . . 0.0 112.896 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.41 4.78 26.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.75 0.82 . . . . 0.0 110.602 160.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.06 -68.37 0.92 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.958 2.903 . . . . 0.0 108.674 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -31.39 10.26 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.637 2.775 . . . . 0.0 115.287 -176.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.29 -43.56 94.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.241 1.016 . . . . 0.0 112.037 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.9 -43.28 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.824 1.649 . . . . 0.0 112.402 -174.52 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -24.34 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.763 4.425 . . . . 0.0 115.787 167.773 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.16 6.37 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.12 -8.66 57.7 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.169 1.788 . . . . 0.0 111.832 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.39 -70.75 0.01 OUTLIER Glycine 0 C--N 1.343 0.945 0 CA-C-N 120.626 1.557 . . . . 0.0 114.672 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -155.64 -63.07 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 148.2 -51.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.801 3.241 . . . . 0.0 108.419 -156.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.28 93.2 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 154.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.29 106.61 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.835 2.454 . . . . 0.0 112.099 -166.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 165.88 4.98 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.782 2.033 . . . . 0.0 113.327 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -60.66 -33.37 72.71 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.505 1.122 . . . . 0.0 112.475 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.2 p -65.28 -54.83 23.36 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.849 0.86 . . . . 0.0 110.551 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.98 -50.76 45.8 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.436 1.494 . . . . 0.0 110.264 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 78' ' ' VAL . 40.4 t80 -57.26 -64.01 1.03 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.984 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.429 HG12 HG21 ' B' ' 82' ' ' THR . 8.6 tp -59.51 -34.53 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.208 1.367 . . . . 0.0 113.419 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -49.59 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.754 0.822 . . . . 0.0 111.316 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -82.78 -16.67 46.96 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CE2' ' A' ' 74' ' ' PHE . 37.4 t -56.91 -48.75 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.49 1.041 . . . . 0.0 109.481 161.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.98 -12.11 4.19 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -40.08 13.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.166 1.348 . . . . 0.0 111.999 163.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.59 -41.27 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 127.657 2.383 . . . . 0.0 112.556 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.4 t -60.69 -7.67 2.41 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.8 p -113.22 -29.73 7.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.785 1.634 . . . . 0.0 112.082 167.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.11 -31.65 14.73 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -60.47 -48.42 81.84 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.453 1.479 . . . . 0.0 109.051 165.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.5 -65.66 0.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.225 2.21 . . . . 0.0 112.425 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.26 0.1 OUTLIER 45.43 4.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 1 C-N-CA 132.22 4.208 . . . . 0.0 117.633 -168.445 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 55.54 114.33 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 128.219 2.607 . . . . 0.0 112.708 -158.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -86.33 0.65 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.854 0.862 . . . . 0.0 110.315 173.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -78.2 -40.75 36.64 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.352 . . . . 0.0 109.561 158.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -158.75 -31.3 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 1 C-N-CA 131.883 4.073 . . . . 0.0 112.224 164.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.6 p -147.6 9.86 0.93 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 172.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.28 19.97 79.72 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.436 1.97 . . . . 0.0 113.344 -170.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.35 0.2 OUTLIER 61.04 16.65 7.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.51 2.324 . . . . 0.0 116.17 -157.545 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 C-N-CA 124.135 0.974 . . . . 0.0 111.468 164.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 29.9 p -78.75 -173.62 3.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.336 3.455 . . . . 0.0 112.803 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.28 -49.33 64.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.987 1.721 . . . . 0.0 110.088 170.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -87.51 -26.1 23.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -172.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 2' ' ' THR . 96.7 mt-10 -71.38 -26.32 62.74 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.608 163.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.62 60.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.846 1.657 . . . . 0.0 111.828 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.4 81.64 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.729 0.695 . . . . 0.0 110.079 163.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.437 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -64.71 -32.07 73.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 168.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.05 -53.94 5.38 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-O 117.825 -1.542 . . . . 0.0 110.347 159.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 70.2 mtp -56.74 -44.42 81.66 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.773 1.787 . . . . 0.0 113.778 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LEU 0.304 0.0 OUTLIER -79.38 -22.19 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 121.015 1.734 . . . . 0.0 115.376 178.351 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.05 -27.82 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.253 0.933 . . . . 0.0 110.18 160.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -85.23 -32.59 22.53 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.936 1.294 . . . . 0.0 113.56 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 34.4 m -62.16 -24.56 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 121.282 1.855 . . . . 0.0 111.715 163.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -78.82 -38.3 38.52 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.446 -0.784 . . . . 0.0 111.432 166.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -72.94 0.63 10.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.864 1.666 . . . . 0.0 114.905 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -59.92 2.54 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.552 1.941 . . . . 0.0 108.963 158.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -100.84 -20.85 15.32 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -162.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -85.95 6.16 29.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.169 -0.957 . . . . 0.0 112.228 154.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.98 -0.83 4.52 Favored Glycine 0 N--CA 1.472 1.046 0 N-CA-C 120.62 3.008 . . . . 0.0 120.62 -138.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 41.7 t -131.39 -62.36 0.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.613 -2.365 . . . . 0.0 104.613 151.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.47 ' HB3' ' H ' ' B' ' 26' ' ' GLN . 1.7 mp0 -141.29 164.69 29.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.321 2.248 . . . . 0.0 108.806 157.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.12 45.48 0.58 Allowed Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.85 1.69 . . . . 0.0 109.983 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.0 m 134.17 -152.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 130.015 3.326 . . . . 0.0 106.527 -136.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 79.8 p -98.5 76.03 2.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.636 1.107 . . . . 0.0 108.479 152.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.47 ' H ' ' HB3' ' B' ' 22' ' ' GLU 0.387 2.6 pt20 36.31 31.39 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 130.359 3.464 . . . . 0.0 118.8 -169.484 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.4 p -87.08 168.23 13.47 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.482 0.658 . . . . 0.0 111.334 152.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mp -86.56 104.39 15.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.422 1.489 . . . . 0.0 108.662 153.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -72.08 153.78 41.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 155.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -46.68 -37.72 8.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.02 2.128 . . . . 0.0 113.199 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.28 -21.77 69.41 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.859 -0.967 . . . . 0.0 114.962 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -84.59 -53.16 5.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.849 1.26 . . . . 0.0 109.106 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.0 tt -37.6 -45.4 0.76 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 128.357 2.663 . . . . 0.0 113.141 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -53.63 -40.48 65.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.829 1.195 . . . . 0.0 114.12 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 t -72.02 -29.98 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.997 0.817 . . . . 0.0 111.563 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.21 -38.06 89.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.407 2.283 . . . . 0.0 112.237 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 18.5 mmt -66.04 -37.19 85.23 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.066 0.848 . . . . 0.0 112.032 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -52.99 -30.05 32.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.476 1.11 . . . . 0.0 113.019 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -97.97 -46.09 6.03 Favored 'General case' 0 C--O 1.227 -0.124 0 C-N-CA 126.583 1.953 . . . . 0.0 110.305 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -120.67 -9.36 9.37 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -163.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.31 58.97 23.71 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 119.455 1.025 . . . . 0.0 111.918 155.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 165.15 2.03 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.076 2.517 . . . . 0.0 111.526 163.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.95 -47.9 1.95 Allowed Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.796 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.42 -26.11 62.92 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.73 2.265 . . . . 0.0 111.264 167.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -2.81 0.16 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.149 2.179 . . . . 0.0 114.008 167.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -53.44 -29.16 33.97 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.116 1.326 . . . . 0.0 112.667 159.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -91.73 -38.72 12.23 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.526 1.131 . . . . 0.0 112.629 166.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.51 -80.35 0.31 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.148 1.356 . . . . 0.0 111.619 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.97 119.34 4.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.912 1.285 . . . . 0.0 110.358 158.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -143.04 10.35 1.74 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.88 2.472 . . . . 0.0 111.445 -172.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.379 0.0 OUTLIER 53.87 7.0 0.1 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.15 3.38 . . . . 0.0 116.478 -162.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.77 -16.54 14.64 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.09 1.356 . . . . 0.0 111.535 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.01 -177.14 4.25 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.086 2.555 . . . . 0.0 109.981 152.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 56.9 -58.77 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 126.964 2.106 . . . . 0.0 112.239 -156.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.32 -33.94 63.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.34 1.456 . . . . 0.0 112.371 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.69 -14.09 25.16 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -1.62 28.08 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.071 0.948 . . . . 0.0 110.088 162.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -113.74 -63.04 1.5 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.82 2.848 . . . . 0.0 110.045 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -50.23 -29.75 10.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.383 1.873 . . . . 0.0 114.827 -172.301 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.77 -10.58 59.96 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.308 1.443 . . . . 0.0 114.23 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.641 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -134.78 -29.83 1.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.976 2.111 . . . . 0.0 113.088 -173.538 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS 0.255 2.5 t0 -42.62 -14.06 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 1 C-N-CA 132.292 4.237 . . . . 0.0 115.048 156.96 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.15 -28.27 0.28 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.219 1.407 . . . . 0.0 113.398 155.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.04 -47.22 87.39 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.82 2.448 . . . . 0.0 115.45 166.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.51 40.4 0.16 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -151.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p30 58.61 -30.52 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 131.519 3.928 . . . . 0.0 119.722 162.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.68 4.29 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.776 2.831 . . . . 0.0 113.887 168.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -128.35 99.6 5.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.557 1.543 . . . . 0.0 110.231 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.564 HG11 HD12 ' B' ' 61' ' ' LEU . 17.2 t -81.19 121.83 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.046 2.538 . . . . 0.0 112.102 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -73.63 164.81 26.15 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 120.422 1.465 . . . . 0.0 113.744 165.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -56.15 -43.23 78.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.374 1.869 . . . . 0.0 114.015 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -55.12 -31.52 61.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 112.3 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.18 -40.24 9.69 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -160.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -50.42 -48.14 56.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.252 153.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.307 1.4 tp -64.25 -32.44 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 120.666 1.575 . . . . 0.0 113.798 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.01 -46.49 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 120.213 1.369 . . . . 0.0 111.385 168.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' PHE . . . . . 0.641 ' CG ' HD22 ' B' ' 61' ' ' LEU . 49.0 t80 -58.85 -47.48 84.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.562 0.619 . . . . 0.0 111.89 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.42 -31.58 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.155 0.582 . . . . 0.0 111.103 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.15 -2.59 31.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.11 -45.86 8.85 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.213 0.915 . . . . 0.0 110.734 153.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 mm -54.87 -38.27 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.142 1.777 . . . . 0.0 113.354 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.429 HG21 HG12 ' A' ' 75' ' ' ILE . 13.3 t -38.82 -31.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.002 1.721 . . . . 0.0 114.127 164.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 72.1 p -103.62 -47.69 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.962 2.105 . . . . 0.0 113.088 167.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.47 -7.04 50.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -170.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 43.1 m -53.2 -12.11 0.35 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.265 1.426 . . . . 0.0 114.49 168.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -10.98 2.13 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.131 0.973 . . . . 0.0 113.407 172.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -53.25 -21.5 5.47 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.522 1.529 . . . . 0.0 114.985 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -53.14 -71.52 0.07 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.862 2.065 . . . . 0.0 113.66 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.611 ' HB3' ' H ' ' B' ' 92' ' ' THR . 7.6 t80 -64.73 17.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.375 1.898 . . . . 0.0 114.182 177.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 66.6 -38.99 0.33 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.105 2.562 . . . . 0.0 113.306 -141.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 -4.17 2.51 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 119.73 3.233 . . . . 0.0 119.73 -170.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.611 ' H ' ' HB3' ' B' ' 89' ' ' PHE . 0.8 OUTLIER -160.37 -112.09 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.885 2.474 . . . . 0.0 107.433 164.49 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 97.25 -64.48 0.95 Allowed Glycine 0 N--CA 1.47 0.94 0 CA-C-N 121.426 1.921 . . . . 0.0 113.386 166.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 tp -139.55 43.43 1.99 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.282 0.563 . . . . 0.0 110.894 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 8.2 tptp . . . . . 0 C--O 1.25 1.098 0 C-N-CA 130.255 3.422 . . . . 0.0 108.66 168.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -170.02 0.24 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.466 1.907 . . . . 0.0 113.199 162.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.96 -57.72 10.5 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.416 1.462 . . . . 0.0 113.109 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.496 HD13 HG13 ' B' ' 78' ' ' VAL . 4.3 pp -57.96 -47.83 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.401 1.096 . . . . 0.0 110.499 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.53 -29.41 70.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.353 -0.842 . . . . 0.0 113.199 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -41.62 41.56 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.462 2.305 . . . . 0.0 112.246 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.523 ' HB3' HG23 ' B' ' 11' ' ' ILE . . . -55.28 -50.83 68.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.706 0.684 . . . . 0.0 111.194 169.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.529 ' HG3' HG21 ' B' ' 11' ' ' ILE . 15.3 mtm -59.66 -38.39 81.34 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 170.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.42 -46.71 11.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 118.25 -1.306 . . . . 0.0 113.407 165.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mtt -76.27 -19.93 57.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.243 1.522 . . . . 0.0 114.132 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.556 ' CG2' HG21 ' A' ' 78' ' ' VAL . 45.4 mt -80.81 -45.15 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 119.99 1.268 . . . . 0.0 110.076 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.34 -39.89 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.312 1.445 . . . . 0.0 109.916 162.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.22 -55.82 27.77 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.93 -1.509 . . . . 0.0 111.695 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -45.61 -52.89 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 120.594 1.543 . . . . 0.0 110.332 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.25 -42.68 73.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 m -71.45 -6.11 37.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.634 1.974 . . . . 0.0 114.35 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -91.27 -41.04 11.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.39 1.476 . . . . 0.0 111.075 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -97.31 -45.95 6.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.776 0.83 . . . . 0.0 113.219 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 p -66.15 -20.57 66.18 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.432 -1.417 . . . . 0.0 110.609 155.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 -12.4 4.25 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.615 2.055 . . . . 0.0 116.529 160.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.474 0.75 1 C-N-CA 132.333 4.253 . . . . 0.0 106.922 -163.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.26 109.42 13.58 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 152.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -65.58 156.82 31.53 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.707 149.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -43.35 -40.1 3.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.168 2.187 . . . . 0.0 112.923 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.67 -18.64 78.8 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 118.327 -1.263 . . . . 0.0 114.976 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -86.48 -55.59 3.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.154 1.477 . . . . 0.0 109.245 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -35.74 -39.81 0.16 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.438 2.695 . . . . 0.0 114.246 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -58.52 -37.97 76.75 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.722 1.147 . . . . 0.0 111.526 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.68 -42.17 98.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 130.75 3.62 . . . . 0.0 111.917 165.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.1 mmm -62.57 -47.61 83.08 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 66.6 mt-10 -59.71 -16.5 27.54 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.168 1.387 . . . . 0.0 112.984 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -108.25 -57.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 127.711 2.404 . . . . 0.0 108.638 -170.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.0 -9.29 16.27 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -129.52 42.6 0.92 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 125.878 1.671 . . . . 0.0 114.688 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.94 144.48 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.878 2.386 . . . . 0.0 114.851 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.35 -37.22 3.3 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.766 1.174 . . . . 0.0 113.627 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -70.6 -6.82 39.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.529 1.164 . . . . 0.0 112.03 165.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' GLU . 33.7 mt -80.45 9.95 5.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.958 2.903 . . . . 0.0 114.041 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -53.09 -32.39 46.95 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.525 1.057 . . . . 0.0 112.915 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -95.79 -27.57 15.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.628 1.171 . . . . 0.0 113.824 163.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -31.24 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.234 1.397 . . . . 0.0 114.978 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 -57.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.03 2.132 . . . . 0.0 113.779 162.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -7.13 44.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.27 4.628 . . . . 0.0 120.013 -159.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 17.61 1.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.792 1.637 . . . . 0.0 113.521 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -116.7 -39.35 3.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 113.098 -169.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.64 -31.81 3.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.718 1.607 . . . . 0.0 112.773 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.452 HG13 HD22 ' A' ' 33' ' ' LEU . 1.5 t -53.03 -34.68 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.308 0.504 . . . . 0.0 110.093 154.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.84 -26.43 68.33 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 126.154 1.782 . . . . 0.0 114.504 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -93.93 -32.82 13.72 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.202 1.365 . . . . 0.0 111.67 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' O ' HD21 ' A' ' 61' ' ' LEU . 1.7 mm? -68.08 -5.7 19.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.98 0.912 . . . . 0.0 111.462 162.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tp -93.52 -73.34 0.57 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.3 1.84 . . . . 0.0 109.895 160.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.56 -34.93 3.61 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.293 3.037 . . . . 0.0 115.774 -169.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m-20 -56.29 -52.55 64.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.633 1.173 . . . . 0.0 112.525 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.589 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -88.35 -43.98 11.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.68 1.992 . . . . 0.0 112.498 -174.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -29.25 -33.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 132.183 4.193 . . . . 0.0 115.566 167.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.89 -27.77 8.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.971 1.709 . . . . 0.0 115.029 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -6.87 58.57 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.516 1.926 . . . . 0.0 111.714 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.26 -92.5 0.27 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.07 1.319 . . . . 0.0 112.237 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -159.64 -38.78 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 153.9 -8.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 131.629 3.972 . . . . 0.0 112.598 -165.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -103.64 94.0 5.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.676 1.591 . . . . 0.0 108.078 159.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.9 104.97 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 128.128 2.571 . . . . 0.0 111.496 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.7 165.65 6.27 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.112 1.765 . . . . 0.0 112.896 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -58.37 -32.96 69.06 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.033 0.933 . . . . 0.0 111.911 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -60.81 -55.14 36.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.329 1.452 . . . . 0.0 110.075 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.82 -48.83 77.1 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.868 1.267 . . . . 0.0 109.7 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.1 t80 -58.62 -60.2 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.754 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 8' ' ' MET . 10.7 tp -58.46 -41.26 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.132 1.333 . . . . 0.0 112.085 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.3 t -57.59 -49.24 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.506 1.122 . . . . 0.0 110.273 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 11.1 m-85 -80.98 -12.03 59.45 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.556 HG21 ' CG2' ' A' ' 11' ' ' ILE . 59.1 t -64.74 -35.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 121.865 2.121 . . . . 0.0 110.189 164.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.99 -2.0 22.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 165.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.55 -36.81 10.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.555 -1.341 . . . . 0.0 111.835 163.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.87 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 129.275 3.03 . . . . 0.0 110.865 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t -46.15 -54.18 9.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.191 0.997 . . . . 0.0 112.571 164.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 p -72.97 -7.55 51.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.809 1.644 . . . . 0.0 114.436 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.901 1.28 . . . . 0.0 109.017 168.813 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 35.0 ttm . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -152.36 -170.02 3.52 Favored 'General case' 0 CA--C 1.547 0.834 1 C-N-CA 131.859 4.064 . . . . 0.0 105.908 -174.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.05 -49.59 67.12 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 122.935 2.607 . . . . 0.0 111.373 165.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 78' ' ' VAL . 6.2 tp -53.33 -42.44 66.75 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.157 1.383 . . . . 0.0 111.893 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 83.3 mt-10 -88.52 -7.91 55.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -41.17 35.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 120.788 1.631 . . . . 0.0 109.241 163.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.37 67.37 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.837 161.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.475 ' HA ' ' CD1' ' B' ' 11' ' ' ILE 0.345 0.0 OUTLIER -56.88 -37.24 71.09 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.374 1.443 . . . . 0.0 112.922 171.483 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.61 -52.26 5.44 Favored Glycine 0 C--O 1.218 -0.892 0 C-N-CA 126.107 1.813 . . . . 0.0 111.889 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . 0.441 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.56 -33.9 47.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.614 1.707 . . . . 0.0 114.557 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.544 ' CG1' HD11 ' B' ' 75' ' ' ILE 0.282 0.0 OUTLIER -67.24 -38.01 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.052 1.751 . . . . 0.0 112.948 171.386 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.1 mm -69.75 -31.18 47.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-O 117.189 -1.386 . . . . 0.0 109.77 165.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.412 ' HA ' ' HB3' ' B' ' 16' ' ' SER 0.266 25.1 t70 -57.17 -45.4 83.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.973 1.715 . . . . 0.0 111.319 -171.23 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.588 HG13 HD11 ' B' ' 36' ' ' LEU . 90.2 t -45.05 -38.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.836 1.198 . . . . 0.0 112.831 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -80.5 -32.36 36.99 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.185 2.194 . . . . 0.0 113.83 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -69.02 -9.1 50.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.419 2.688 . . . . 0.0 114.0 163.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 7.5 mtm180 -94.27 -62.18 1.38 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.283 1.433 . . . . 0.0 111.129 169.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.483 ' CD1' HD13 ' B' ' 36' ' ' LEU . 1.5 m-85 -73.76 -72.89 0.24 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.542 0.671 0 C-N-CA 126.47 1.908 . . . . 0.0 113.435 163.708 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -69.19 103.3 1.89 Allowed 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 154.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -68.25 146.8 53.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 122.002 0.906 . . . . 0.0 109.159 149.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -41.31 -41.25 1.88 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.604 2.362 . . . . 0.0 113.95 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -22.99 77.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.546 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.43 -51.24 6.67 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.74 1.616 . . . . 0.0 109.921 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG13 ' B' ' 54' ' ' VAL . 3.3 tt -40.28 -49.17 2.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.999 2.12 . . . . 0.0 112.483 175.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -55.69 -18.71 8.65 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -165.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.77 -12.6 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.386 1.474 . . . . 0.0 111.515 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.588 HD11 HG13 ' B' ' 14' ' ' VAL . 27.1 tp -76.52 -43.96 37.07 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 127.09 2.156 . . . . 0.0 111.657 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 6.2 mmm -67.02 -28.97 68.67 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.592 0.757 . . . . 0.0 111.713 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -56.74 -23.42 42.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.933 1.693 . . . . 0.0 112.972 169.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -108.42 -41.78 4.76 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 126.242 1.817 . . . . 0.0 110.116 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -120.3 -5.33 9.91 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.76 44.14 1.28 Allowed Pre-proline 0 CA--C 1.566 1.572 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 163.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -40.14 -21.38 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 1 C-N-CA 126.469 4.78 . . . . 0.0 119.338 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.83 -20.29 56.14 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 120.159 1.345 . . . . 0.0 114.659 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.18 -30.71 69.88 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.316 1.558 . . . . 0.0 111.408 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -0.94 2.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.813 1.645 . . . . 0.0 113.857 -171.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -53.88 -26.99 27.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.182 1.793 . . . . 0.0 113.029 157.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -90.72 -66.22 0.95 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.651 0.781 . . . . 0.0 109.907 161.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.99 -43.41 1.69 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 115.199 0.84 . . . . 0.0 115.199 166.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -75.01 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.824 0.85 . . . . 0.0 111.876 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' B' ' 52' ' ' ASP . 8.3 m-20 65.88 0.34 1.53 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.193 2.197 . . . . 0.0 116.116 164.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER 42.59 -0.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.53 3.532 . . . . 0.0 117.081 -161.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' B' ' 50' ' ' ASP . 0.8 OUTLIER -124.98 -1.07 7.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 128.792 2.837 . . . . 0.0 112.833 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.34 -43.56 2.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.138 0.975 . . . . 0.0 111.835 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.527 HG13 HD22 ' B' ' 33' ' ' LEU . 0.9 OUTLIER -51.61 -34.24 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.675 0.39 . . . . 0.0 110.547 157.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.38 -20.19 65.52 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 127.976 2.51 . . . . 0.0 114.788 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -35.54 10.36 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.773 1.17 . . . . 0.0 109.45 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.435 ' O ' HD21 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.2 -0.37 1.2 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.341 1.857 . . . . 0.0 112.726 156.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 tp -104.84 -67.27 0.92 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.316 2.246 . . . . 0.0 108.586 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 9.8 mmtm -45.49 -28.25 0.88 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.357 2.663 . . . . 0.0 115.551 -175.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.33 -20.23 63.87 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 172.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.643 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -128.76 -29.81 2.33 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.551 2.34 . . . . 0.0 112.709 -172.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.7 OUTLIER -43.84 -14.72 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 131.997 4.119 . . . . 0.0 115.044 156.257 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.38 -31.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.04 1.736 . . . . 0.0 113.289 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.42 -42.73 95.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.457 2.303 . . . . 0.0 116.109 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.66 29.96 0.18 Allowed Glycine 0 CA--C 1.536 1.344 0 N-CA-C 116.555 1.382 . . . . 0.0 116.555 -154.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 t0 52.73 -5.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 131.287 3.835 . . . . 0.0 119.176 166.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -177.35 -4.27 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.531 2.732 . . . . 0.0 112.9 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -115.15 96.85 5.88 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 123.139 1.447 . . . . 0.0 108.717 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 HD12 ' B' ' 61' ' ' LEU . 27.2 t -78.68 115.47 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 128.34 2.656 . . . . 0.0 109.765 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.2 169.73 17.66 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.235 1.379 . . . . 0.0 113.044 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -53.29 56.53 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.894 1.678 . . . . 0.0 111.645 -177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 73' ' ' GLU . 8.8 p -65.18 3.28 0.64 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.286 2.234 . . . . 0.0 114.403 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 72' ' ' SER . 9.6 mm-40 -120.27 -50.99 2.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.331 2.252 . . . . 0.0 108.771 -170.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -46.57 -47.73 19.72 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.362 0.665 . . . . 0.0 110.282 157.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.544 HD11 ' CG1' ' B' ' 11' ' ' ILE . 2.8 tp -63.66 -34.04 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.89 -48.8 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.17 0.895 . . . . 0.0 109.711 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.643 ' CG ' HD22 ' B' ' 61' ' ' LEU . 74.7 t80 -63.28 -41.98 99.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.215 1.006 . . . . 0.0 111.779 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.496 HG13 HD13 ' A' ' 4' ' ' LEU . 76.5 t -53.35 -47.95 57.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.745 1.218 . . . . 0.0 109.875 170.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.51 2.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.62 -41.02 9.95 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.865 1.211 . . . . 0.0 111.005 153.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -58.45 -22.89 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.817 1.647 . . . . 0.0 112.495 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 14.8 t -50.58 -31.57 16.19 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.006 -1.684 . . . . 0.0 113.888 163.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -83.04 -1.56 53.02 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.258 1.023 . . . . 0.0 112.712 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 126.583 1.953 . . . . 0.0 111.944 167.465 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttm . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 p -153.76 -177.59 6.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 130.058 3.343 . . . . 0.0 106.28 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -56.7 -54.28 48.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.334 1.425 . . . . 0.0 111.238 171.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 HG22 ' B' ' 11' ' ' ILE . 4.5 tp -52.2 -50.95 60.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.437 2.295 . . . . 0.0 111.415 174.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.92 -26.23 40.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.369 1.067 . . . . 0.0 113.794 -171.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -57.69 11.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.125 0.875 . . . . 0.0 109.783 167.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.84 62.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.978 0.911 . . . . 0.0 111.661 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.507 ' SD ' HG12 ' B' ' 78' ' ' VAL . 77.7 mtm -65.13 -30.35 71.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 173.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -22.32 31.54 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.461 -1.188 . . . . 0.0 113.392 164.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.8 mtp -85.93 -24.93 26.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.719 1.759 . . . . 0.0 113.712 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -93.21 -25.98 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 120.793 -1.192 . . . . 0.0 112.77 171.231 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mt -67.87 -30.18 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 116.721 -1.609 . . . . 0.0 111.059 155.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.76 -54.66 44.42 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.384 2.356 . . . . 0.0 110.197 165.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.27 -38.44 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 119.385 0.993 . . . . 0.0 112.519 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.98 -43.31 68.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.742 1.156 . . . . 0.0 114.046 168.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -61.37 -10.66 7.74 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.314 2.245 . . . . 0.0 113.499 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH22 ' CD ' ' B' ' 3' ' ' GLU . 21.2 ttt180 -112.18 -34.66 5.86 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 131.146 3.778 . . . . 0.0 111.592 -173.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 28.4 m-85 -109.62 -10.66 14.83 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -103.07 2.37 34.68 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.11 1.323 . . . . 0.0 111.689 148.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.38 26.9 62.42 Favored Glycine 0 CA--C 1.538 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 112.228 -166.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 128.008 2.523 . . . . 0.0 111.744 -163.731 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 117.784 -1.103 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.16 103.19 0.45 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.638 1.175 . . . . 0.0 110.845 162.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -70.43 165.25 22.93 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.984 -1.072 . . . . 0.0 111.524 158.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -55.38 -31.09 61.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.673 1.589 . . . . 0.0 113.309 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 -19.15 55.23 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.969 1.271 . . . . 0.0 115.091 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -85.33 -40.57 16.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.233 2.613 . . . . 0.0 109.293 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.71 -34.2 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.068 2.947 . . . . 0.0 115.175 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.75 -41.35 68.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -165.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.75 -11.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.914 1.286 . . . . 0.0 112.113 -174.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 4.3 tp -78.73 -34.39 45.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.205 3.002 . . . . 0.0 112.137 165.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.4 mmt -71.6 -53.53 13.42 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.166 0.894 . . . . 0.0 110.926 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -48.35 -35.85 13.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.395 1.478 . . . . 0.0 112.15 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -67.86 0.76 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 129.341 3.056 . . . . 0.0 112.406 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 -4.1 20.94 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -165.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 HD13 ' B' ' 4' ' ' LEU . 5.3 mp -131.83 55.61 19.2 Favored Pre-proline 0 CA--C 1.557 1.245 0 C-N-CA 125.427 1.491 . . . . 0.0 114.321 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -39.43 154.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.334 3.356 . . . . 0.0 115.346 154.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.04 -56.86 4.62 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 124.102 0.858 . . . . 0.0 112.322 -176.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -55.76 -23.51 30.0 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.54 1.136 . . . . 0.0 112.36 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.03 -15.1 20.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.494 2.318 . . . . 0.0 114.8 170.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -60.16 -26.49 66.35 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.947 1.249 . . . . 0.0 112.539 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 m -101.69 -41.22 6.64 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.416 0.686 . . . . 0.0 110.968 162.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.59 -12.28 0.09 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 165.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.31 0.0 OUTLIER 172.12 -118.72 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 133.18 4.592 . . . . 0.0 107.403 170.06 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 55.5 m-20 49.47 33.29 5.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.641 1.977 . . . . 0.0 113.24 170.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER 49.54 -6.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.791 3.636 . . . . 0.0 117.35 -167.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -87.05 -22.54 25.39 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.087 1.312 . . . . 0.0 112.969 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.75 -174.59 4.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.532 1.133 . . . . 0.0 110.408 162.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.2 t 62.34 -61.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 126.618 1.967 . . . . 0.0 110.1 -162.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -55.42 -36.23 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.969 1.708 . . . . 0.0 113.511 165.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -89.75 -19.79 24.33 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.44 1.44 16.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.694 0.797 . . . . 0.0 111.344 164.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -110.26 -65.3 1.17 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 129.056 2.943 . . . . 0.0 109.201 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -27.68 24.52 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.972 2.109 . . . . 0.0 115.433 -172.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.33 -32.61 60.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.539 0.609 . . . . 0.0 111.816 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -94.61 -39.2 10.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.678 1.591 . . . . 0.0 112.527 -177.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -28.74 -35.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 132.698 4.399 . . . . 0.0 115.59 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -22.35 13.18 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.482 1.513 . . . . 0.0 114.982 171.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -11.53 53.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.84 1.656 . . . . 0.0 111.809 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.04 -74.33 0.01 OUTLIER Glycine 0 C--N 1.342 0.864 0 CA-C-N 120.685 1.584 . . . . 0.0 114.29 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.04 -62.94 0.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 144.47 -50.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.175 3.39 . . . . 0.0 107.832 -154.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.57 97.26 0.07 Allowed 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.454 -0.779 . . . . 0.0 109.358 153.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.97 101.97 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.683 1.993 . . . . 0.0 111.435 -165.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.47 162.65 4.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.908 1.683 . . . . 0.0 112.804 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.76 -33.68 68.75 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.283 -0.865 . . . . 0.0 113.073 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -63.79 -54.57 33.11 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.909 0.884 . . . . 0.0 110.545 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.62 -50.87 59.41 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.473 1.509 . . . . 0.0 110.214 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -57.81 -65.6 0.61 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.362 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.462 HG12 HG21 ' B' ' 82' ' ' THR . 7.6 tp -58.58 -35.38 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 120.363 1.438 . . . . 0.0 112.98 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.0 -53.79 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.258 1.023 . . . . 0.0 111.086 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -79.94 -15.05 58.08 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 t -55.2 -51.41 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 120.465 1.484 . . . . 0.0 108.42 161.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.94 -15.18 41.3 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.53 -38.4 23.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.218 165.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.89 -47.93 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.055 1.742 . . . . 0.0 111.018 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t -63.34 -22.84 67.12 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -82.61 -43.09 17.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.898 1.226 . . . . 0.0 111.105 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 125.463 1.505 . . . . 0.0 112.416 178.305 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 56.2 p -142.95 -102.74 0.13 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 109.792 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' CD ' HH22 ' A' ' 17' ' ' ARG . 19.0 tt0 -131.61 -52.39 1.0 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.722 2.009 . . . . 0.0 107.788 156.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 41' ' ' LEU . 4.2 tt -46.55 -50.26 17.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.081 1.353 . . . . 0.0 111.633 162.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.59 -18.36 58.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.669 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -40.92 61.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.944 1.702 . . . . 0.0 111.154 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.27 94.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.763 1.225 . . . . 0.0 110.744 166.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.7 mtm -63.56 -28.79 70.18 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 -21.08 29.33 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 118.389 -1.229 . . . . 0.0 113.112 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 37.8 mtt -88.24 -36.95 16.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.64 1.72 . . . . 0.0 112.774 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.479 HG22 HD12 ' A' ' 4' ' ' LEU 0.281 0.0 OUTLIER -77.64 -25.33 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.84 -1.162 . . . . 0.0 113.054 170.706 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mm -72.11 -34.26 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.173 160.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.55 -50.05 68.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 121.588 1.995 . . . . 0.0 110.566 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.528 ' CG1' HD21 ' B' ' 36' ' ' LEU . 43.4 t -48.81 -52.27 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.346 0.975 . . . . 0.0 111.803 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.94 -47.81 70.89 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.712 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -64.35 -10.03 21.76 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.955 2.502 . . . . 0.0 114.919 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -93.09 -63.54 1.2 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.015 0.825 . . . . 0.0 109.065 165.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.586 ' CG ' HD22 ' B' ' 36' ' ' LEU 0.261 0.2 OUTLIER -78.52 -13.4 59.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 -166.492 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 C-N-CA 125.544 1.538 . . . . 0.0 111.581 157.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.95 114.49 27.15 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.672 -0.642 . . . . 0.0 110.66 158.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -62.14 147.65 46.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.9 0.857 . . . . 0.0 110.875 143.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -43.08 -34.61 1.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.716 2.806 . . . . 0.0 114.077 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.51 59.27 Favored Glycine 0 CA--C 1.533 1.201 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.212 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.52 -48.05 11.47 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.344 1.572 . . . . 0.0 109.635 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -37.67 -49.26 1.11 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.653 2.381 . . . . 0.0 114.097 -177.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' N ' HD23 ' B' ' 33' ' ' LEU . 17.3 pttm -49.77 -42.79 47.42 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -169.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.44 -26.83 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.238 0.926 . . . . 0.0 113.32 -167.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.586 HD22 ' CG ' ' B' ' 18' ' ' TYR . 22.5 tp -75.49 -39.34 58.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.738 1.215 . . . . 0.0 111.524 175.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.481 ' SD ' HD12 ' B' ' 57' ' ' LEU . 31.9 mmt -56.44 -31.74 64.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.23 1.012 . . . . 0.0 112.115 -169.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.82 -20.57 36.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.464 2.306 . . . . 0.0 114.187 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -113.84 -46.3 3.03 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.033 1.733 . . . . 0.0 111.074 -163.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -4.04 10.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' N ' ' CD ' ' B' ' 42' ' ' PRO . 21.4 mt -126.48 33.13 0.24 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 127.298 2.239 . . . . 0.0 114.85 167.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 41' ' ' LEU . 47.7 Cg_exo -42.27 -28.53 0.94 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.558 4.172 . . . . 0.0 119.473 -177.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.33 -34.18 84.49 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-N 120.475 1.488 . . . . 0.0 113.294 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' B' ' 81' ' ' ILE . 98.9 m-85 -76.05 -11.65 59.98 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.945 0.872 . . . . 0.0 113.083 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 7.15 1.03 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -45.53 -31.52 1.84 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.384 1.074 . . . . 0.0 113.72 162.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -92.05 -31.79 15.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.03 1.732 . . . . 0.0 113.701 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.41 7.81 4.5 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.616 2.055 . . . . 0.0 116.894 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.362 0.0 OUTLIER 110.22 112.75 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.605 4.762 . . . . 0.0 111.501 -179.502 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -141.98 5.66 1.73 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.912 3.285 . . . . 0.0 111.526 -164.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.402 0.0 OUTLIER 46.89 22.91 0.22 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 129.465 3.106 . . . . 0.0 115.076 -161.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.45 -27.93 1.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.103 1.761 . . . . 0.0 115.73 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 -40.77 5.68 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 121.691 2.042 . . . . 0.0 111.455 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.83 -29.58 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.513 0.725 . . . . 0.0 110.759 158.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.01 -25.8 56.06 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 126.253 1.821 . . . . 0.0 114.856 172.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -87.92 -39.88 14.4 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.358 1.89 . . . . 0.0 111.38 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' SD ' ' B' ' 37' ' ' MET . 0.1 OUTLIER -55.38 -10.7 0.65 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.334 2.254 . . . . 0.0 111.861 160.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.53 -62.49 1.23 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.093 2.157 . . . . 0.0 111.318 161.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -50.42 -33.0 19.26 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.567 2.347 . . . . 0.0 115.332 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.99 -8.32 48.08 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-N 119.508 1.049 . . . . 0.0 113.761 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -138.49 -34.17 0.64 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.46 1.904 . . . . 0.0 113.08 -170.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.9 OUTLIER -37.04 -27.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 130.443 3.497 . . . . 0.0 114.145 153.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.82 -24.49 1.45 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.321 2.249 . . . . 0.0 114.644 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -73.16 -21.8 60.63 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 171.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.08 -77.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.846 1.212 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -178.53 -50.44 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.909 1.284 . . . . 0.0 113.229 -156.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 163.53 -1.2 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 130.875 3.67 . . . . 0.0 113.047 -160.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -114.92 101.19 8.79 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.182 1.393 . . . . 0.0 111.471 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 61' ' ' LEU . 30.2 t -78.06 136.66 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.795 2.038 . . . . 0.0 112.453 -172.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -111.19 168.28 9.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.821 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -58.31 -48.59 80.04 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.411 1.485 . . . . 0.0 111.387 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -66.15 -6.68 14.21 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 127.28 2.232 . . . . 0.0 113.345 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.85 -48.29 3.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.377 1.471 . . . . 0.0 109.757 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' B' ' 61' ' ' LEU . 73.7 t80 -51.54 -48.25 63.1 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.572 169.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 tp -57.68 -31.03 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.76 -47.62 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 110.602 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' B' ' 61' ' ' LEU . 35.1 t80 -59.15 -43.53 92.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.817 0.847 . . . . 0.0 112.001 174.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.507 HG12 ' SD ' ' A' ' 8' ' ' MET . 53.4 t -50.34 -52.07 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.676 1.59 . . . . 0.0 109.96 169.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.67 17.98 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.56 -39.8 15.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.159 1.345 . . . . 0.0 111.587 162.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' B' ' 77' ' ' PHE . 14.4 mm -54.04 -44.78 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.657 1.183 . . . . 0.0 112.441 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.462 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -59.53 -7.67 1.55 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 35.2 m -106.75 -43.5 4.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.233 1.413 . . . . 0.0 111.212 165.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 125.179 1.392 . . . . 0.0 113.111 179.066 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.5 p -154.71 -173.86 4.74 Favored 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 133.533 4.733 . . . . 0.0 105.097 -174.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CD ' HH22 ' B' ' 17' ' ' ARG . 28.8 tt0 -69.07 -43.09 75.3 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 124.743 3.429 . . . . 0.0 109.764 170.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' B' ' 11' ' ' ILE . 5.5 tt -46.89 -59.4 3.11 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.734 1.213 . . . . 0.0 111.394 170.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 92.7 mt-10 -76.73 -29.0 56.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.524 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.5 64.52 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.809 1.64 . . . . 0.0 111.046 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.12 93.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.742 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.595 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.264 2.8 mtt -68.96 -28.64 66.81 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.272 1.396 . . . . 0.0 114.568 171.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.43 -47.83 7.02 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-O 117.818 -1.545 . . . . 0.0 111.853 155.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtp -66.12 -30.1 70.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.175 1.987 . . . . 0.0 114.92 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -86.68 -25.04 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 121.315 1.87 . . . . 0.0 113.052 174.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mm -60.34 -35.21 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 118.724 0.693 . . . . 0.0 109.468 153.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 6.2 t0 -77.38 -17.14 58.45 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 120.177 -1.577 . . . . 0.0 113.153 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.1 -22.47 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 O-C-N 119.215 -2.178 . . . . 0.0 111.541 162.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 28' ' ' LEU . 22.3 t80 -80.4 -29.7 37.73 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.525 -1.359 . . . . 0.0 111.391 165.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 46.7 t -62.75 -31.19 72.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.661 1.984 . . . . 0.0 112.894 164.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -63.73 1.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.696 1.134 . . . . 0.0 110.438 166.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.451 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 9.2 m-85 -98.22 -47.01 5.62 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -152.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -5.79 12.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.582 0.753 . . . . 0.0 112.763 158.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.84 4.92 56.08 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.088 1.327 . . . . 0.0 113.532 -172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.472 0.659 1 C-N-CA 132.797 4.439 . . . . 0.0 106.056 -163.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 mp -104.59 114.06 28.03 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 128.013 2.525 . . . . 0.0 108.928 155.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -77.65 165.96 23.6 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.99 0.9 . . . . 0.0 111.589 159.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -55.35 -33.51 63.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.262 1.825 . . . . 0.0 113.518 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.43 -8.79 73.7 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.152 1.358 . . . . 0.0 115.123 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -101.0 -37.52 8.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.266 2.226 . . . . 0.0 109.664 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.86 -43.59 73.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.016 2.526 . . . . 0.0 113.177 165.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -45.82 87.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.301 1.41 . . . . 0.0 113.884 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.89 -16.12 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.34 1.456 . . . . 0.0 113.261 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 8.9 tp -77.32 -32.96 55.64 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.511 2.324 . . . . 0.0 112.404 165.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -89.47 -36.81 15.2 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.22 0.918 . . . . 0.0 112.385 -169.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -50.63 -27.36 6.75 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.774 1.63 . . . . 0.0 112.011 166.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -99.2 -61.39 1.37 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 128.962 2.905 . . . . 0.0 111.562 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.39 0.54 14.8 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.49 42.73 0.78 Allowed Pre-proline 0 CA--C 1.572 1.817 0 C-N-CA 126.0 1.72 . . . . 0.0 114.961 169.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -41.21 -32.44 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 125.545 4.163 . . . . 0.0 118.753 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -19.67 73.07 Favored Glycine 0 CA--C 1.534 1.268 0 O-C-N 120.958 -1.089 . . . . 0.0 114.358 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -89.14 -12.43 41.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.812 1.245 . . . . 0.0 111.751 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.64 5.59 45.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.863 1.665 . . . . 0.0 112.929 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.8 -18.78 65.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.47 0.708 . . . . 0.0 111.777 160.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -97.81 -80.74 0.44 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.135 1.374 . . . . 0.0 108.192 158.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.83 -15.1 60.01 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 116.969 -2.017 . . . . 0.0 117.588 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.46 ' CG ' ' H ' ' A' ' 50' ' ' ASP 0.323 0.0 OUTLIER -153.01 -90.54 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.041 2.421 . . . . 0.0 112.208 173.158 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.46 ' H ' ' CG ' ' A' ' 49' ' ' LYS . 3.9 m-20 60.39 3.98 0.63 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.328 2.651 . . . . 0.0 116.313 155.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.347 0.0 OUTLIER 40.12 32.11 0.11 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.353 2.261 . . . . 0.0 113.894 -154.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -134.73 -165.97 1.74 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 129.166 2.986 . . . . 0.0 107.691 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 46.04 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.863 2.465 . . . . 0.0 116.057 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -46.5 -45.35 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.998 1.719 . . . . 0.0 110.69 161.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.8 -22.62 65.17 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.987 1.315 . . . . 0.0 113.783 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.16 -38.78 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.628 1.103 . . . . 0.0 111.513 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.04 -7.36 2.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.161 1.385 . . . . 0.0 112.628 162.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.71 -78.77 0.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.609 1.963 . . . . 0.0 108.249 156.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -40.55 23.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -168.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.3 -33.67 76.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.354 1.062 . . . . 0.0 112.033 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -98.16 -38.49 9.3 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.185 1.394 . . . . 0.0 112.169 178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -4.95 0.76 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.819 1.248 . . . . 0.0 113.619 172.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.86 -24.77 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.033 -1.042 . . . . 0.0 113.338 159.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -80.28 -16.54 54.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 113.719 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.96 -98.41 0.68 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.924 1.725 . . . . 0.0 112.627 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -157.52 -81.9 0.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.571 1.148 . . . . 0.0 111.426 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.49 25.03 0.98 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.341 1.856 . . . . 0.0 112.723 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -139.36 109.74 6.56 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.048 1.339 . . . . 0.0 109.325 164.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.76 112.91 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.608 1.963 . . . . 0.0 112.873 -166.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.75 166.8 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.638 1.175 . . . . 0.0 113.117 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -60.83 -34.37 74.45 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.811 -1.181 . . . . 0.0 113.626 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -65.32 -52.67 52.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.233 1.013 . . . . 0.0 110.456 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.52 -51.17 60.86 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 129.211 3.004 . . . . 0.0 109.806 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -54.02 -67.4 0.26 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.9 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 tp -58.04 -37.16 59.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 120.595 1.543 . . . . 0.0 113.539 -169.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.16 -51.39 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.27 1.028 . . . . 0.0 110.779 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.2 -17.89 54.0 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.6 t -58.13 -48.09 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 120.288 1.404 . . . . 0.0 108.471 163.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.33 28.78 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 167.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.17 -24.4 24.49 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.679 -1.263 . . . . 0.0 112.893 165.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.15 -42.29 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.235 1.814 . . . . 0.0 110.678 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.491 HG21 HG12 ' B' ' 75' ' ' ILE . 7.5 t -55.07 -42.14 72.39 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.483 -0.761 . . . . 0.0 111.277 163.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -64.78 -22.76 67.05 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.682 1.193 . . . . 0.0 112.614 172.834 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.488 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.272 0.082 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 26.9 p -153.43 -176.21 5.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.759 3.624 . . . . 0.0 107.477 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.19 -47.62 80.8 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 123.572 2.896 . . . . 0.0 109.743 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -59.37 5.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.06 1.744 . . . . 0.0 111.774 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 98.4 mt-10 -73.6 -29.98 62.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 118.326 -0.845 . . . . 0.0 113.242 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -39.82 66.42 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.579 1.536 . . . . 0.0 111.285 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.27 90.69 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.582 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -61.41 -32.33 72.28 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 170.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.11 -33.95 11.42 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.929 -1.484 . . . . 0.0 112.959 164.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 43.5 mtt -75.63 -32.85 60.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.946 1.873 . . . . 0.0 113.406 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.5 -26.23 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 120.141 1.337 . . . . 0.0 113.194 177.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.96 -37.28 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.968 156.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.11 -44.1 93.29 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 120.321 1.419 . . . . 0.0 111.88 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -53.0 -31.32 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 121.302 1.865 . . . . 0.0 112.595 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 71' ' ' PHE . 46.7 t80 -82.08 -33.32 29.89 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.302 1.041 . . . . 0.0 113.646 170.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -83.45 1.19 42.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 128.311 2.645 . . . . 0.0 113.688 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.481 HH22 ' CD ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -70.5 -59.87 2.59 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.136 2.574 . . . . 0.0 108.669 156.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -87.62 -74.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.83 1.652 . . . . 0.0 111.259 -165.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.7 p . . . . . 0 N--CA 1.477 0.921 0 O-C-N 121.263 -0.898 . . . . 0.0 113.116 167.81 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.19 102.03 10.84 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.087 -1.008 . . . . 0.0 108.578 157.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -66.43 152.81 44.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.176 153.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -49.23 -34.29 14.64 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.892 1.677 . . . . 0.0 113.645 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.11 -25.08 64.82 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.552 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -84.67 -40.37 17.49 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.211 1.404 . . . . 0.0 110.193 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.12 -39.03 19.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.242 2.217 . . . . 0.0 113.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -62.55 -48.43 79.52 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -11.25 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.13 1.372 . . . . 0.0 113.796 -169.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.15 -41.58 41.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 129.569 3.148 . . . . 0.0 111.572 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.7 mmt -70.57 -35.51 73.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.045 0.938 . . . . 0.0 112.022 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.35 -33.29 28.83 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.395 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -97.6 -50.0 4.65 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.658 1.983 . . . . 0.0 110.047 -169.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -109.68 -6.81 15.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 113.803 -165.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.97 38.65 0.34 Allowed Pre-proline 0 CA--C 1.579 2.058 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -38.51 10.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.565 2 C-N-CA 129.449 6.766 . . . . 0.0 124.575 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.03 -7.68 2.52 Favored Glycine 0 N--CA 1.472 1.097 0 CA-C-N 121.771 2.078 . . . . 0.0 116.265 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CD2' HD21 ' B' ' 57' ' ' LEU . 96.9 m-85 -73.83 -10.84 60.08 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.217 1.509 . . . . 0.0 111.451 156.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.02 -6.99 37.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.797 2.439 . . . . 0.0 113.511 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -61.48 -22.84 65.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.373 1.069 . . . . 0.0 112.267 164.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 6.8 t -104.55 -49.13 3.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.799 1.239 . . . . 0.0 111.019 160.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.26 -18.99 0.26 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 117.55 -1.694 . . . . 0.0 117.257 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -7.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.32 2.248 . . . . 0.0 115.686 169.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.22 47.77 1.47 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.39 1.45 . . . . 0.0 114.91 -151.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 -26.38 0.12 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.41 2.684 . . . . 0.0 114.224 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -82.1 -19.38 40.25 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.63 1.972 . . . . 0.0 113.585 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -144.01 -177.1 5.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.364 1.465 . . . . 0.0 111.03 166.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t 59.35 -61.38 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.1 2.16 . . . . 0.0 110.606 -156.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.96 -29.94 22.61 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.318 1.447 . . . . 0.0 113.05 166.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.01 -13.83 19.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.488 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.4 mm? -81.23 -3.79 53.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.651 0.78 . . . . 0.0 110.555 160.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -96.98 -74.01 0.58 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.52 2.328 . . . . 0.0 108.507 164.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 12.2 mmtm -44.77 -35.33 2.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 128.425 2.69 . . . . 0.0 116.248 -169.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.87 -47.75 79.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.846 1.258 . . . . 0.0 113.101 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.34 -41.21 9.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.762 2.025 . . . . 0.0 112.286 -173.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -37.5 -24.4 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 131.656 3.983 . . . . 0.0 114.857 165.03 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.64 -28.59 2.45 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.023 1.729 . . . . 0.0 114.785 164.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -18.82 41.63 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.405 1.082 . . . . 0.0 112.926 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.54 -96.96 0.81 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.74 1.638 . . . . 0.0 112.62 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -165.24 -42.15 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 157.18 -3.46 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 131.44 3.896 . . . . 0.0 113.592 -164.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -111.42 87.41 2.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.905 1.682 . . . . 0.0 108.406 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.62 102.97 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 127.689 2.395 . . . . 0.0 112.238 -169.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.08 165.56 10.95 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 125.202 1.401 . . . . 0.0 112.84 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 2.9 p90 -63.29 -27.45 69.34 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.893 -1.129 . . . . 0.0 113.444 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.0 p -60.15 -57.44 12.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.575 1.15 . . . . 0.0 110.777 172.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.66 -51.41 60.3 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.959 2.104 . . . . 0.0 109.847 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -54.62 -62.25 1.78 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.049 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.491 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -60.9 -38.98 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 119.606 1.094 . . . . 0.0 112.524 -172.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 52.3 t -55.66 -49.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.745 1.218 . . . . 0.0 110.8 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -84.5 -15.47 45.8 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.595 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.9 t -57.46 -36.58 53.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 120.58 1.537 . . . . 0.0 109.482 160.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.58 9.73 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 167.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 -41.89 8.55 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.818 156.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.42 -31.33 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.154 1.382 . . . . 0.0 111.403 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -57.39 -22.51 43.28 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.7 p -86.07 -29.27 23.52 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.575 1.079 . . . . 0.0 111.985 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 113.137 168.684 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.0 ttm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -153.21 -170.09 3.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 128.836 2.854 . . . . 0.0 108.382 -165.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.19 -54.3 46.8 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 123.541 2.882 . . . . 0.0 109.021 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.495 ' CD2' HG13 ' B' ' 78' ' ' VAL . 6.6 tt -51.87 -60.04 3.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.836 2.055 . . . . 0.0 111.259 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.63 -21.89 37.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.873 0.869 . . . . 0.0 112.84 -168.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -49.22 45.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.897 1.68 . . . . 0.0 110.005 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 91.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.729 ' SD ' HG12 ' B' ' 78' ' ' VAL . 3.9 mtt -75.54 -25.29 57.05 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.352 1.433 . . . . 0.0 114.697 169.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.11 -33.02 6.9 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 117.775 -1.57 . . . . 0.0 113.303 156.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.9 mtt -74.77 -17.59 60.61 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.613 2.206 . . . . 0.0 114.363 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -25.43 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.869 1.213 . . . . 0.0 113.363 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.17 -31.97 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 118.972 0.805 . . . . 0.0 109.316 153.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.54 -34.16 76.51 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 120.276 -1.515 . . . . 0.0 112.588 166.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.9 -53.66 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 121.632 2.015 . . . . 0.0 110.236 172.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -46.55 -47.61 19.61 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.229 0.331 . . . . 0.0 111.123 167.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 m -68.49 -16.78 64.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -67.89 -44.97 75.77 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.27 1.85 . . . . 0.0 109.057 162.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.76 -15.18 13.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -153.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.34 6.17 30.28 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.383 0.992 . . . . 0.0 111.456 148.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.65 51.42 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.014 1.292 . . . . 0.0 115.192 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 130.502 3.521 . . . . 0.0 107.875 -158.11 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 97.61 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.522 1.129 . . . . 0.0 110.725 161.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -72.23 165.23 24.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.291 -0.881 . . . . 0.0 111.584 162.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -57.78 -28.83 64.34 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.602 1.561 . . . . 0.0 113.765 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.27 -16.92 61.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.729 1.157 . . . . 0.0 115.265 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -93.52 -37.32 11.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.614 2.365 . . . . 0.0 110.209 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.62 HD22 HG13 ' A' ' 54' ' ' VAL . 7.9 tt -55.27 -34.23 63.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 129.644 3.177 . . . . 0.0 114.521 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -74.64 -42.92 57.69 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -168.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.75 -18.01 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 124.835 1.254 . . . . 0.0 111.579 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.27 -28.56 63.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.547 2.739 . . . . 0.0 112.235 167.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -20.41 19.22 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.644 -1.285 . . . . 0.0 113.338 -169.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.58 -7.36 14.45 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.869 1.268 . . . . 0.0 112.849 167.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -138.22 -61.16 0.61 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.779 2.032 . . . . 0.0 109.657 -148.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -11.65 18.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -130.7 42.37 0.89 Allowed Pre-proline 0 CA--C 1.558 1.256 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.66 142.82 48.96 Favored 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 121.512 1.576 . . . . 0.0 112.768 171.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 -34.26 5.88 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.861 1.696 . . . . 0.0 113.908 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.73 -17.2 64.48 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.743 -1.445 . . . . 0.0 111.272 162.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 4.88 3.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.449 2.3 . . . . 0.0 114.036 172.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -51.21 -25.86 6.13 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.237 0.926 . . . . 0.0 113.226 161.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -109.24 -60.99 1.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.85 1.66 . . . . 0.0 109.804 164.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -10.77 66.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.65 1.595 . . . . 0.0 115.092 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -170.04 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.196 1.498 . . . . 0.0 112.379 -170.62 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.55 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 48.1 m-20 44.52 17.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 133.354 4.661 . . . . 0.0 117.064 176.288 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.322 0.1 OUTLIER 47.95 15.37 0.06 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 128.748 2.819 . . . . 0.0 115.683 -171.573 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -135.41 4.67 3.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.63 1.572 . . . . 0.0 113.759 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.22 -67.1 1.01 Allowed 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.074 1.306 . . . . 0.0 112.233 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG13 HD22 ' A' ' 33' ' ' LEU . 1.4 t -54.48 -35.47 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.336 0.654 . . . . 0.0 110.448 166.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.76 -20.16 65.19 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.461 1.505 . . . . 0.0 114.135 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -97.47 -39.96 8.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.089 1.313 . . . . 0.0 111.654 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.65 -3.08 0.43 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.273 1.029 . . . . 0.0 112.921 157.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -98.94 -68.99 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.975 2.11 . . . . 0.0 110.413 158.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.67 12.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.967 2.107 . . . . 0.0 116.292 -171.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.93 -34.29 64.28 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.133 1.333 . . . . 0.0 112.16 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -94.54 -39.57 10.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.644 1.578 . . . . 0.0 111.953 -176.091 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -29.2 -38.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.306 3.843 . . . . 0.0 115.633 167.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.09 -21.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -18.44 28.95 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.711 1.204 . . . . 0.0 112.473 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.12 -71.62 0.02 OUTLIER Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.731 1.605 . . . . 0.0 114.015 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -150.19 -63.36 0.21 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 145.04 -51.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 130.04 3.336 . . . . 0.0 107.767 -154.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.58 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 150.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.32 107.31 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.909 2.084 . . . . 0.0 111.856 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.52 163.1 11.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.541 1.536 . . . . 0.0 112.817 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -56.65 -31.84 64.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.792 0.837 . . . . 0.0 112.763 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.7 -51.99 65.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.514 1.526 . . . . 0.0 110.58 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -47.14 87.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.808 1.643 . . . . 0.0 109.659 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.6 -64.82 0.77 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 117.636 -1.173 . . . . 0.0 110.81 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.75 -40.35 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.564 1.529 . . . . 0.0 112.982 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.2 -49.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.714 0.806 . . . . 0.0 111.771 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -87.55 -17.9 30.98 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.37 -48.5 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.41 1.459 . . . . 0.0 108.678 159.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.88 -12.17 60.13 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.76 -49.68 17.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.884 1.22 . . . . 0.0 109.986 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mm -47.45 -49.41 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.612 1.965 . . . . 0.0 113.119 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -49.5 -36.37 22.82 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -94.25 -39.35 10.57 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.393 0.542 . . . . 0.0 111.599 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 125.189 1.395 . . . . 0.0 113.448 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -133.13 -99.82 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.839 0.745 . . . . 0.0 111.532 -160.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -143.04 -55.83 0.41 Allowed 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 128.596 2.759 . . . . 0.0 105.793 168.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 tt -44.8 -60.14 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.742 1.617 . . . . 0.0 113.434 155.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.8 -31.98 70.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.317 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.06 73.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.991 1.269 . . . . 0.0 112.277 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.168 1.387 . . . . 0.0 111.054 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -62.22 -27.63 69.12 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.07 1.304 . . . . 0.0 114.081 171.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.08 -11.34 1.42 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 127.136 2.303 . . . . 0.0 113.911 164.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 71.0 mtp -102.49 -10.76 19.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.283 1.833 . . . . 0.0 112.718 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -13.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.946 1.248 . . . . 0.0 113.512 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -70.35 -6.07 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 118.658 0.663 . . . . 0.0 111.345 145.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -117.45 -26.74 6.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.894 1.678 . . . . 0.0 113.252 -174.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -26.97 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 119.618 -1.926 . . . . 0.0 110.851 147.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.19 -12.35 59.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.286 165.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 6.7 p -72.53 -91.16 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 115.22 -2.324 . . . . 0.0 107.397 165.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.29 -82.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 128.685 2.794 . . . . 0.0 112.811 162.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.404 ' HB3' ' H ' ' B' ' 19' ' ' SER 0.264 0.4 OUTLIER -40.38 -88.23 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.145 1 C-N-CA 137.719 6.407 . . . . 0.0 115.407 161.021 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.404 ' H ' ' HB3' ' B' ' 18' ' ' TYR . 10.5 p . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 119.26 36.15 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.881 1.673 . . . . 0.0 111.322 167.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -66.49 155.88 36.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.242 151.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -46.67 -38.39 9.71 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.912 2.085 . . . . 0.0 112.572 169.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.58 89.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.267 1.413 . . . . 0.0 113.799 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -83.96 -44.61 14.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.055 1.428 . . . . 0.0 110.375 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -44.74 -43.04 8.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.699 1.6 . . . . 0.0 112.239 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -50.41 -39.45 47.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.33 -40.04 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 120.013 1.279 . . . . 0.0 112.83 -159.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.94 -35.55 69.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.52 0.728 . . . . 0.0 111.503 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt -56.36 -39.65 73.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.911 0.884 . . . . 0.0 112.254 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -56.96 -19.44 18.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.253 1.821 . . . . 0.0 114.111 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -114.22 -52.9 2.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.727 2.011 . . . . 0.0 109.159 -168.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.63 0.88 19.26 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.86 34.88 0.28 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 164.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.22 -20.05 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.736 3.624 . . . . 0.0 119.669 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.22 -49.47 52.46 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 120.195 1.361 . . . . 0.0 112.049 169.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.39 -30.93 70.86 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.369 -1.077 . . . . 0.0 111.851 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.33 -6.3 0.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -11.07 56.73 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.227 1.376 . . . . 0.0 112.143 162.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.38 -17.38 25.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.356 2.262 . . . . 0.0 112.439 164.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.53 -87.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.063 0 C-N-CA 128.043 2.735 . . . . 0.0 114.767 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.57 -68.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.716 2.406 . . . . 0.0 111.083 172.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.04 -43.24 0.16 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.157 2.583 . . . . 0.0 116.004 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER 139.24 -14.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 137.433 6.293 . . . . 0.0 112.429 175.57 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.91 -20.1 14.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.88 1.672 . . . . 0.0 113.609 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.23 169.81 9.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.017 0.826 . . . . 0.0 109.352 156.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.65 -46.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.306 1.842 . . . . 0.0 110.56 -159.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -44.98 -57.83 3.56 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 126.398 1.879 . . . . 0.0 112.325 154.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -0.77 19.24 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.58 -63.41 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 117.947 -1.025 . . . . 0.0 108.93 150.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -38.89 -65.12 0.39 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.153 1.381 . . . . 0.0 111.605 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -23.08 21.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.322 2.649 . . . . 0.0 115.126 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -53.26 7.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.755 0.822 . . . . 0.0 110.994 172.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.594 HD12 HG11 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -64.35 -45.04 89.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.865 0.866 . . . . 0.0 111.56 178.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.64 -36.57 0.26 Allowed 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.346 4.258 . . . . 0.0 115.351 177.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.3 -16.72 3.67 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -16.96 27.82 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.003 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.43 -67.46 0.01 OUTLIER Glycine 0 N--CA 1.474 1.192 0 CA-C-N 121.445 1.929 . . . . 0.0 115.288 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -140.3 -62.96 0.49 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -172.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 137.85 -52.02 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 129.731 3.213 . . . . 0.0 108.022 -150.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -74.82 86.55 2.22 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 109.42 163.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' B' ' 73' ' ' GLU . 2.4 t -64.4 111.95 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.934 2.494 . . . . 0.0 113.45 -163.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.35 162.9 5.61 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.377 1.871 . . . . 0.0 112.763 166.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -37.82 64.53 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.009 0.923 . . . . 0.0 111.746 174.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 -45.97 91.36 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 110.998 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.636 ' HB2' HG13 ' B' ' 69' ' ' VAL . 16.2 mt-10 -61.74 -50.71 71.32 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.798 1.239 . . . . 0.0 110.147 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -61.11 -55.04 37.09 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.184 0.594 . . . . 0.0 111.438 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.16 -41.63 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.966 0.906 . . . . 0.0 112.372 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -53.96 -48.41 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.168 0.987 . . . . 0.0 111.187 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -79.76 -24.02 41.81 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.729 HG12 ' SD ' ' A' ' 8' ' ' MET . 24.5 t -52.13 -36.14 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 120.596 1.544 . . . . 0.0 110.776 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.09 63.09 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 172.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.07 -48.45 16.04 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.256 0.935 . . . . 0.0 109.897 163.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.72 -46.05 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.803 2.041 . . . . 0.0 112.801 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -53.02 -28.82 26.14 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.164 0.986 . . . . 0.0 112.829 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.0 p -88.65 -41.52 12.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.701 0.8 . . . . 0.0 112.708 168.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 125.52 1.528 . . . . 0.0 113.227 -173.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 32.7 ttm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -155.85 -173.19 4.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 131.332 3.853 . . . . 0.0 106.652 -172.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.43 -52.92 63.18 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 122.689 2.495 . . . . 0.0 111.297 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.53 -52.17 49.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.577 1.551 . . . . 0.0 110.905 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 36.8 mt-10 -79.59 -13.67 59.36 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.18 63.64 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.067 1.758 . . . . 0.0 109.867 171.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.31 89.93 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.497 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' HG12 ' B' ' 78' ' ' VAL . 61.0 mtm -62.52 -32.41 73.34 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.55 1.523 . . . . 0.0 113.93 169.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.68 -41.33 9.64 Favored Glycine 0 C--O 1.214 -1.103 0 CA-C-O 117.454 -1.748 . . . . 0.0 111.386 163.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.9 mtp -68.47 -31.68 71.15 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.232 2.016 . . . . 0.0 114.182 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.315 0.0 OUTLIER -91.21 -30.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.11 1.323 . . . . 0.0 113.75 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.83 -32.65 57.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 121.73 -0.606 . . . . 0.0 110.481 157.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.28 -40.57 70.82 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 120.557 -1.339 . . . . 0.0 111.619 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.68 -47.19 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.734 1.606 . . . . 0.0 110.989 165.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.48 -21.94 66.19 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -90.2 -7.08 54.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.764 1.626 . . . . 0.0 112.9 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -73.62 -55.85 5.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.908 1.283 . . . . 0.0 110.221 165.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -102.73 -52.36 3.1 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -159.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -10.02 31.32 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.012 0.823 . . . . 0.0 112.147 154.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 -9.06 10.18 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.811 1.672 . . . . 0.0 115.912 161.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.866 1 C-N-CA 131.998 4.119 . . . . 0.0 106.286 -157.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.8 p . . . . . 0 C--O 1.225 -0.223 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.62 116.03 21.17 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 150.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -73.61 163.34 28.14 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.596 -0.842 . . . . 0.0 111.316 152.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -55.77 -30.2 60.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.39 1.876 . . . . 0.0 113.16 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.4 -14.39 74.05 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.022 1.296 . . . . 0.0 114.987 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -102.44 -39.42 7.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 128.362 2.665 . . . . 0.0 109.879 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -26.97 25.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.285 2.234 . . . . 0.0 114.837 168.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -81.86 -48.22 11.82 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.035 1.289 . . . . 0.0 114.291 -165.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -15.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.903 1.681 . . . . 0.0 111.792 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.99 -68.45 0.39 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.299 2.24 . . . . 0.0 110.672 157.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . 0.345 8.2 ptm -53.74 -14.5 0.94 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 -168.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.43 -35.55 70.22 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 121.302 1.864 . . . . 0.0 113.311 165.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.99 -49.56 6.52 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 128.835 2.854 . . . . 0.0 111.197 -161.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -0.73 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.418 1.487 . . . . 0.0 113.925 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mt -122.79 31.88 0.2 Allowed Pre-proline 0 CA--C 1.566 1.581 0 C-N-CA 125.188 1.395 . . . . 0.0 114.168 160.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -54.41 132.56 51.59 Favored 'Trans proline' 0 C--N 1.362 1.268 0 CA-C-N 122.733 2.012 . . . . 0.0 113.038 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.2 -38.42 3.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.709 1.623 . . . . 0.0 112.209 -172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.441 1.12 . . . . 0.0 111.244 166.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.04 7.65 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 130.286 3.434 . . . . 0.0 114.136 171.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -47.57 -30.15 3.37 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.172 1.351 . . . . 0.0 113.759 166.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.7 m -91.09 -18.87 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.64 1.976 . . . . 0.0 114.814 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.23 -79.14 0.01 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.265 1.888 . . . . 0.0 112.81 -158.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.2 125.23 11.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.335 1.854 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -138.59 4.13 2.35 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.333 2.253 . . . . 0.0 112.326 -170.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 48.76 23.15 0.62 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 128.646 2.778 . . . . 0.0 115.56 -162.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.26 -6.18 1.4 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.5 -53.06 2.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.418 1.887 . . . . 0.0 110.69 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -44.11 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.038 0.935 . . . . 0.0 110.107 161.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.56 -18.83 62.91 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 125.46 1.504 . . . . 0.0 114.044 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -98.73 -23.78 15.29 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.218 1.372 . . . . 0.0 111.686 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.91 0.52 10.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.838 . . . . 0.0 111.543 156.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -102.38 -74.87 0.62 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.707 1.603 . . . . 0.0 110.214 162.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -42.84 3.28 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.613 3.165 . . . . 0.0 115.046 -170.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 m-20 -55.87 -48.62 75.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.028 1.331 . . . . 0.0 112.303 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -86.05 -46.41 10.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.82 1.648 . . . . 0.0 112.199 -177.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.05 -35.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 131.636 3.975 . . . . 0.0 114.828 169.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.96 -26.47 1.76 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.367 1.867 . . . . 0.0 115.345 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.53 -14.18 49.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.944 1.698 . . . . 0.0 112.014 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.82 -66.82 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 120.362 1.437 . . . . 0.0 114.95 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.09 -59.56 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.732 0.813 . . . . 0.0 112.764 -167.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.17 -51.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 130.292 3.437 . . . . 0.0 107.836 -155.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.67 97.2 0.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.379 0.609 . . . . 0.0 110.177 157.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.0 102.78 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 129.598 3.159 . . . . 0.0 111.361 -169.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.48 164.55 3.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.941 1.696 . . . . 0.0 112.704 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -56.78 -33.51 66.71 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 123.678 0.791 . . . . 0.0 112.043 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -62.42 -53.5 53.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.426 1.49 . . . . 0.0 110.528 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.14 -49.92 75.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.371 1.468 . . . . 0.0 109.518 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 78' ' ' VAL . 55.6 t80 -56.48 -64.69 0.78 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.42 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.66 -37.49 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 120.158 1.345 . . . . 0.0 113.164 -173.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.64 -51.31 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 123.662 0.785 . . . . 0.0 110.957 172.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 6.7 m-85 -77.77 -20.79 52.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG12 ' SD ' ' B' ' 8' ' ' MET . 70.4 t -55.08 -53.61 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 162.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.4 -7.31 6.27 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 171.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.58 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.127 1.331 . . . . 0.0 111.907 162.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.51 -47.37 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.998 2.119 . . . . 0.0 111.429 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 HG12 ' B' ' 75' ' ' ILE . 8.8 t -56.13 -9.6 0.67 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 173.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.6 p -109.3 -35.49 6.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.785 1.634 . . . . 0.0 112.153 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 125.803 1.641 . . . . 0.0 113.896 -176.581 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpp . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.5 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.8 p -134.16 -172.83 3.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.432 2.693 . . . . 0.0 108.632 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.58 -56.76 17.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.14 1.791 . . . . 0.0 111.294 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.44 -46.54 63.05 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.962 1.705 . . . . 0.0 112.344 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' B' ' 2' ' ' THR . 57.0 mt-10 -78.46 -30.79 47.63 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.84 80.02 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 120.004 1.274 . . . . 0.0 110.626 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.84 69.83 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.241 0.616 . . . . 0.0 110.373 165.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.466 ' SD ' HG12 ' A' ' 78' ' ' VAL . 67.0 mtm -60.89 -32.7 72.15 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.26 -34.97 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 118.619 -1.1 . . . . 0.0 112.438 164.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mtt -80.54 -37.19 31.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.164 1.482 . . . . 0.0 113.383 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -30.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.444 1.474 . . . . 0.0 112.463 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm -63.1 -42.1 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.759 161.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.93 -48.96 74.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.18 1.355 . . . . 0.0 113.124 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -33.51 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.161 1.346 . . . . 0.0 112.436 -176.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 53.4 t80 -72.87 -42.13 63.97 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.162 1.385 . . . . 0.0 113.61 167.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 17.1 t -71.65 1.42 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.426 1.891 . . . . 0.0 114.178 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -87.96 -57.64 2.86 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.165 1.786 . . . . 0.0 109.926 159.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 36' ' ' LEU . 6.3 m-85 -76.99 -45.25 28.01 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -170.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 0.0 112.814 162.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p . . . . . 0 C--O 1.233 0.223 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.7 mp -90.11 109.46 20.52 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 153.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -67.82 157.01 35.79 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.722 148.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.414 ' HB2' HD22 ' B' ' 58' ' ' LEU . 72.1 tttt -45.85 -34.69 3.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.811 2.444 . . . . 0.0 113.501 171.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.65 -28.44 55.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.463 1.03 . . . . 0.0 114.76 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.45 -49.48 16.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.607 1.563 . . . . 0.0 108.899 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -47.43 -39.62 16.03 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.159 2.184 . . . . 0.0 113.34 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -60.74 -47.0 88.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.51 1.505 . . . . 0.0 114.546 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.64 -6.03 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.057 1.343 . . . . 0.0 112.133 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' B' ' 18' ' ' TYR . 47.8 tp -90.45 -36.8 14.35 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.637 2.775 . . . . 0.0 111.624 174.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mmt -69.1 -25.82 64.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 111.675 -172.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.74 -25.8 55.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.646 1.178 . . . . 0.0 113.084 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -106.78 -48.67 3.46 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.669 1.988 . . . . 0.0 109.906 -167.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.15 -35.45 21.71 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.475 1.51 . . . . 0.0 114.232 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.74 40.87 0.65 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 126.577 1.951 . . . . 0.0 115.082 -165.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -34.94 127.41 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 123.062 2.508 . . . . 0.0 113.759 157.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.45 -40.38 2.46 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.858 1.218 . . . . 0.0 113.788 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -65.89 -22.51 66.52 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.881 1.84 . . . . 0.0 110.991 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -6.97 29.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.322 2.649 . . . . 0.0 113.526 171.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.12 -23.58 67.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.858 1.208 . . . . 0.0 111.613 166.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.3 t -96.25 -67.28 0.86 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.838 0.855 . . . . 0.0 109.958 155.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.36 3.62 66.51 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-O 117.05 -1.972 . . . . 0.0 115.563 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.253 0.0 OUTLIER 173.87 -108.85 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.342 2.657 . . . . 0.0 111.357 -176.339 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 9.6 m-20 49.86 18.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.385 2.674 . . . . 0.0 115.348 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.7 18.72 0.2 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.535 2.734 . . . . 0.0 116.116 -161.009 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.62 -10.42 7.34 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.442 1.897 . . . . 0.0 114.43 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.92 175.13 9.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.319 1.447 . . . . 0.0 109.697 160.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t 57.94 -64.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 126.274 1.83 . . . . 0.0 110.65 -160.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -48.26 -39.02 20.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.058 2.143 . . . . 0.0 113.465 167.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -92.72 -9.46 40.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.495 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.0 mm? -88.75 -1.08 57.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.924 0.489 . . . . 0.0 110.231 163.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' B' ' 30' ' ' LYS . 6.3 tp -102.15 -71.42 0.72 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.593 2.357 . . . . 0.0 109.736 167.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.4 1.47 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.287 3.035 . . . . 0.0 115.668 -170.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -46.0 90.91 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.629 1.972 . . . . 0.0 113.008 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.52 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -101.34 -25.97 13.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.81 2.444 . . . . 0.0 113.086 -174.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.4 -22.01 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 131.499 3.92 . . . . 0.0 114.244 163.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.89 -24.7 0.15 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.04 2.136 . . . . 0.0 114.507 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -48.99 -40.74 31.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.756 2.422 . . . . 0.0 115.04 165.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.49 -72.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.58 0.61 . . . . 0.0 113.795 -165.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -160.25 -50.58 0.05 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -160.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 158.28 3.94 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 130.886 3.674 . . . . 0.0 113.323 -157.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -121.62 93.66 4.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.297 1.839 . . . . 0.0 109.611 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.484 HG11 HD12 ' B' ' 61' ' ' LEU . 20.8 t -72.53 122.81 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.774 2.43 . . . . 0.0 111.279 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.251 0.3 OUTLIER -87.11 169.98 11.91 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 120.057 1.299 . . . . 0.0 114.213 167.461 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.59 -36.56 67.02 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.223 1.809 . . . . 0.0 112.8 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.02 -11.02 55.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.844 2.058 . . . . 0.0 112.986 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -127.59 -45.79 1.47 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 126.977 2.111 . . . . 0.0 108.649 -158.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 60.7 t80 -40.04 -62.0 0.79 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.784 151.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -57.61 -37.79 60.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.24 -47.78 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.998 0.817 . . . . 0.0 110.761 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -83.51 -22.33 32.5 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.486 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.7 t -51.3 -51.35 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.903 1.281 . . . . 0.0 108.912 159.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.16 -7.48 9.17 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.78 13.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.23 1.377 . . . . 0.0 111.686 161.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mm -51.26 -48.64 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.95 1.7 . . . . 0.0 110.809 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -53.95 -24.35 16.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.6 m -94.87 -34.53 12.41 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.118 0.967 . . . . 0.0 111.268 172.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 125.522 1.529 . . . . 0.0 114.701 179.266 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.084 0.469 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -150.4 -169.32 3.35 Favored 'General case' 0 N--CA 1.472 0.666 1 C-N-CA 132.834 4.454 . . . . 0.0 106.019 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.71 -52.93 63.02 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 122.251 2.296 . . . . 0.0 111.508 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 11' ' ' ILE . 4.2 tp -50.43 -54.96 18.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.958 1.703 . . . . 0.0 110.421 175.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.08 -23.94 51.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.53 68.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.464 1.484 . . . . 0.0 110.828 170.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.5 92.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.918 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -34.01 76.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.93 1.241 . . . . 0.0 114.287 168.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.0 -28.89 7.92 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.142 163.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 mtt -80.68 -27.22 37.15 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.023 1.912 . . . . 0.0 113.682 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.459 HD11 HD11 ' B' ' 11' ' ' ILE 0.258 0.0 OUTLIER -90.68 -25.78 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 120.724 1.602 . . . . 0.0 112.877 172.713 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.56 -32.14 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.573 154.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 32.9 t70 -68.06 -31.28 70.81 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 121.111 1.778 . . . . 0.0 113.331 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 36' ' ' LEU . 40.9 t -58.02 -31.23 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.253 1.842 . . . . 0.0 111.451 167.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.31 -10.68 59.0 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.899 1.28 . . . . 0.0 114.296 168.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP 0.274 0.0 OUTLIER -94.55 -23.09 17.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.638 1.575 . . . . 0.0 113.884 171.865 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -64.08 0.97 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.214 1.806 . . . . 0.0 111.467 164.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.99 -67.15 0.86 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.769 0.828 . . . . 0.0 111.926 -168.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 4.34 1.33 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.618 1.967 . . . . 0.0 115.363 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.81 55.17 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.089 1.328 . . . . 0.0 115.857 170.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.22 -0.456 1 C-N-CA 132.298 4.239 . . . . 0.0 105.185 -173.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.18 77.47 1.28 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.559 1.171 . . . . 0.0 110.178 155.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -61.06 153.4 25.55 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.505 153.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -46.0 -33.25 3.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.965 2.106 . . . . 0.0 113.233 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.54 -26.02 52.18 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.599 1.095 . . . . 0.0 115.438 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -79.74 -51.71 8.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.295 1.838 . . . . 0.0 109.094 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.32 -36.16 41.35 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.564 2.745 . . . . 0.0 113.976 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -61.78 -47.8 83.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -171.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -67.82 -42.77 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.243 0.929 . . . . 0.0 110.113 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 31.5 tp -45.49 -36.21 4.33 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.273 1.829 . . . . 0.0 112.391 168.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.411 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.39 -20.17 44.65 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -174.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.87 -13.14 61.33 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.643 1.11 . . . . 0.0 112.054 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -129.53 -43.97 1.25 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.012 2.525 . . . . 0.0 110.292 -150.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HB3' ' H ' ' B' ' 4' ' ' LEU . 3.5 mt-10 -126.66 -5.96 6.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.402 1.481 . . . . 0.0 113.903 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.36 37.23 0.36 Allowed Pre-proline 0 CA--C 1.559 1.32 0 CA-C-N 120.113 1.324 . . . . 0.0 114.467 167.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.69 146.65 75.76 Favored 'Trans proline' 0 C--N 1.357 1.024 0 CA-C-N 121.757 1.663 . . . . 0.0 111.857 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.63 -50.2 1.15 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.646 1.117 . . . . 0.0 111.997 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -60.15 -17.38 40.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.352 1.076 . . . . 0.0 111.688 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.1 OUTLIER -75.61 -1.03 22.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.576 1.951 . . . . 0.0 114.727 173.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -22.85 63.99 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.615 1.098 . . . . 0.0 112.441 159.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -102.48 -44.08 5.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.549 1.94 . . . . 0.0 111.418 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.79 -34.37 0.28 Allowed Glycine 0 N--CA 1.476 1.325 0 C-N-CA 127.175 2.321 . . . . 0.0 118.615 156.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -163.41 -18.66 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.226 2.21 . . . . 0.0 113.795 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.12 52.41 2.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.614 1.197 . . . . 0.0 114.146 -144.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.67 -18.58 0.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.174 2.59 . . . . 0.0 113.996 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -91.26 -22.55 20.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 113.541 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.25 179.63 6.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.503 1.521 . . . . 0.0 111.456 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t 59.76 -64.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.006 2.122 . . . . 0.0 109.745 -156.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -48.61 -40.39 27.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.409 2.284 . . . . 0.0 113.011 169.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.41 -15.06 26.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' HD21 ' A' ' 61' ' ' LEU . 4.0 mm? -77.53 1.43 19.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.187 0.595 . . . . 0.0 111.059 162.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -111.95 -63.49 1.41 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.911 2.884 . . . . 0.0 109.807 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -26.34 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 0.0 115.861 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.5 -38.17 74.28 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.364 0.665 . . . . 0.0 111.939 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -95.8 -38.19 10.42 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.893 1.677 . . . . 0.0 113.145 -172.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -23.1 -36.34 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 1 C-N-CA 132.272 4.229 . . . . 0.0 115.848 162.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.45 -25.46 36.57 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.869 2.067 . . . . 0.0 114.989 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.63 -9.99 54.84 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.899 1.68 . . . . 0.0 111.817 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.14 -70.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-N 120.296 1.407 . . . . 0.0 114.891 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -154.51 -59.15 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -171.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 143.41 -50.8 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.473 3.509 . . . . 0.0 107.4 -155.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.28 90.15 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.468 -0.77 . . . . 0.0 110.317 156.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.36 114.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.908 2.483 . . . . 0.0 112.83 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.27 174.24 10.9 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 127.338 2.255 . . . . 0.0 113.41 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -63.32 -36.78 84.82 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.519 -1.363 . . . . 0.0 113.3 -167.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 -46.65 72.4 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.524 0.73 . . . . 0.0 110.929 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.33 -49.71 73.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.375 1.07 . . . . 0.0 109.738 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -55.53 -67.95 0.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.202 1.001 . . . . 0.0 111.67 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -55.78 -40.45 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 119.714 1.143 . . . . 0.0 113.222 -169.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -57.76 -47.42 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 0.0 111.307 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.5 -16.39 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.406 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.9 t -51.96 -49.2 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 120.036 1.289 . . . . 0.0 108.718 160.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.5 -7.38 19.4 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.26 -33.75 17.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.584 1.084 . . . . 0.0 111.605 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -58.61 -45.92 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.487 1.494 . . . . 0.0 111.544 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -56.92 -17.93 11.44 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 m -102.98 -28.58 11.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.679 1.992 . . . . 0.0 111.83 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 O-C-N 119.98 -1.7 . . . . 0.0 111.934 166.362 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.032 -0.509 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 76.4 p -144.3 -92.94 0.11 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.218 1.407 . . . . 0.0 110.394 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -143.52 -56.04 0.39 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 128.398 2.679 . . . . 0.0 107.347 171.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.41 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 4.9 tt -49.01 -55.92 10.52 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.299 1.839 . . . . 0.0 111.516 157.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -74.69 -17.89 60.6 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.454 -0.779 . . . . 0.0 112.938 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.52 70.51 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.333 1.424 . . . . 0.0 110.839 171.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.18 95.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.073 0.949 . . . . 0.0 110.773 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.406 ' SD ' HG12 ' A' ' 78' ' ' VAL . 75.1 mtm -62.0 -34.63 76.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 171.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.99 9.71 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-O 119.165 -0.797 . . . . 0.0 113.327 163.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mtp -80.83 -37.38 30.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.105 1.452 . . . . 0.0 113.006 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.31 -33.8 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 120.75 1.614 . . . . 0.0 111.984 171.28 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mm -58.18 -33.6 47.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.785 0.834 . . . . 0.0 110.321 161.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.21 -36.99 64.01 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.385 -1.447 . . . . 0.0 114.58 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.64 -26.26 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.31 1.868 . . . . 0.0 110.642 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' B' ' 28' ' ' LEU . 8.7 t80 -66.13 -43.48 86.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.288 -0.882 . . . . 0.0 113.097 162.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -52.15 -29.53 22.46 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.464 1.506 . . . . 0.0 113.85 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -54.41 -23.82 17.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.725 1.61 . . . . 0.0 113.667 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -127.84 -70.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.084 1.353 . . . . 0.0 110.173 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . 0.273 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.307 32.9 p . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 119.152 -0.452 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' B' ' 15' ' ' PHE . 5.3 mp -64.15 86.36 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.296 1.046 . . . . 0.0 109.142 153.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -66.53 154.02 41.45 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.093 -1.004 . . . . 0.0 109.208 150.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -51.89 -34.07 39.62 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 112.851 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -22.82 70.16 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.735 1.16 . . . . 0.0 114.795 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.31 -48.3 9.19 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.183 1.393 . . . . 0.0 109.707 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tt -47.25 -48.53 24.5 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 127.927 2.491 . . . . 0.0 113.85 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.58 -42.9 16.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -171.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.22 -25.03 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.511 1.124 . . . . 0.0 111.835 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -75.74 -38.85 58.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.103 1.361 . . . . 0.0 111.682 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmt -60.48 -33.37 72.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.233 1.013 . . . . 0.0 112.75 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.95 -30.41 24.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.128 1.771 . . . . 0.0 112.609 171.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -101.22 -43.39 6.0 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.409 1.884 . . . . 0.0 110.256 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -87.6 -35.33 18.14 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER -151.12 65.34 6.67 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.37 127.6 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.302 3.335 . . . . 0.0 113.725 153.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.78 -56.95 0.69 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.839 1.209 . . . . 0.0 111.186 -171.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -59.08 -23.75 62.32 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.121 0.96 . . . . 0.0 112.018 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.27 -9.67 34.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.507 2.323 . . . . 0.0 113.685 173.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -65.75 -27.93 68.67 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.748 1.158 . . . . 0.0 112.173 164.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -92.78 -49.87 5.85 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 110.557 164.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.59 -7.25 0.09 OUTLIER Glycine 0 CA--C 1.543 1.797 0 N-CA-C 118.402 2.121 . . . . 0.0 118.402 170.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.382 0.0 OUTLIER 118.93 105.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 134.241 5.017 . . . . 0.0 111.978 168.167 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.12 -1.68 7.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.109 2.164 . . . . 0.0 111.652 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 133.98 -29.35 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 1 C-N-CA 132.541 4.337 . . . . 0.0 111.185 -146.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.07 176.06 5.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.54 -67.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 1 C-N-CA 131.863 4.065 . . . . 0.0 116.553 163.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -53.17 -39.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.85 0.86 . . . . 0.0 108.886 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.58 -29.33 70.35 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 171.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -88.64 -45.77 9.58 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.267 1.394 . . . . 0.0 111.509 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.454 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.0 mm? -53.02 -12.75 0.36 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.145 1.778 . . . . 0.0 112.792 160.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -90.53 -68.84 0.76 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.223 1.009 . . . . 0.0 111.57 156.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.423 ' HE2' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -52.05 -31.06 28.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.033 2.533 . . . . 0.0 115.474 -164.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.29 -50.02 50.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.691 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -83.05 -34.67 26.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.819 1.648 . . . . 0.0 113.541 -175.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HE2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -33.27 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 130.594 3.558 . . . . 0.0 114.846 167.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.56 65.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.564 1.946 . . . . 0.0 114.775 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -13.99 46.84 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.142 1.377 . . . . 0.0 111.272 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.26 -94.31 0.74 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.026 1.298 . . . . 0.0 112.193 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -150.51 -39.79 0.13 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.768 1.227 . . . . 0.0 112.673 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 173.22 -42.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 131.511 3.925 . . . . 0.0 109.147 -172.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.92 100.01 1.88 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.936 1.294 . . . . 0.0 109.986 171.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -75.29 108.91 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.149 2.179 . . . . 0.0 113.739 -171.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.25 171.62 14.22 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.789 2.036 . . . . 0.0 113.382 165.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -59.01 -35.54 73.44 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.01 1.324 . . . . 0.0 113.531 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -60.13 -53.69 54.77 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.319 0.963 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.47 -50.96 70.21 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.635 1.574 . . . . 0.0 109.615 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -55.57 -64.77 0.74 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.327 1.051 . . . . 0.0 112.164 175.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -58.54 -40.27 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 119.206 0.912 . . . . 0.0 112.367 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.48 -49.59 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.371 1.068 . . . . 0.0 111.298 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -85.01 -18.34 34.72 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -50.7 -47.51 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 119.951 1.25 . . . . 0.0 109.306 163.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -12.78 54.65 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.68 -36.83 21.63 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.797 1.18 . . . . 0.0 111.454 163.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -56.73 -44.67 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.278 1.431 . . . . 0.0 111.309 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -62.16 5.87 0.09 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.5 p -117.57 -39.55 3.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.144 1.778 . . . . 0.0 112.087 161.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 126.124 1.77 . . . . 0.0 114.16 -174.113 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 119.921 -0.085 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -154.32 -175.12 5.25 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.446 3.099 . . . . 0.0 108.668 -169.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.3 -46.37 79.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.94 1.7 . . . . 0.0 112.593 172.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -46.1 55.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.904 0.881 . . . . 0.0 111.325 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.28 -16.19 61.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.777 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.88 -28.87 27.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.422 1.464 . . . . 0.0 112.283 171.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.7 96.03 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.159 0.891 . . . . 0.0 109.932 164.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' ILE . 49.9 mtm -63.02 -34.39 77.46 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.032 -1.042 . . . . 0.0 113.786 163.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.17 -47.33 5.42 Favored Glycine 0 C--O 1.213 -1.177 0 CA-C-O 116.585 -2.231 . . . . 0.0 111.228 161.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.3 mtp -70.08 -26.54 64.04 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.608 2.204 . . . . 0.0 114.868 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' MET . 12.2 mt -78.05 -47.86 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 120.891 -1.131 . . . . 0.0 109.666 174.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mm -54.09 -28.14 17.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.858 1.663 . . . . 0.0 110.319 162.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.9 -40.72 31.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.507 1.523 . . . . 0.0 111.745 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -37.8 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 122.107 2.23 . . . . 0.0 110.423 165.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.59 -14.1 61.54 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.696 1.198 . . . . 0.0 113.168 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -100.45 -8.16 23.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.483 1.913 . . . . 0.0 112.879 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -77.06 -64.04 1.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.746 2.018 . . . . 0.0 109.551 161.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -88.48 -67.1 0.85 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.089 0.956 . . . . 0.0 112.168 -160.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.51 -8.24 1.17 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 158.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.94 -4.11 8.53 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.466 1.508 . . . . 0.0 115.999 167.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.471 0.603 1 C-N-CA 133.736 4.814 . . . . 0.0 105.92 -170.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 119.922 3.305 . . . . 0.0 119.922 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.29 67.6 2.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.585 1.154 . . . . 0.0 110.067 167.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.496 ' HB ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -51.86 146.9 7.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 145.175 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -35.09 -40.3 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.97 2.508 . . . . 0.0 113.544 171.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 -27.25 55.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.635 1.112 . . . . 0.0 115.546 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.94 -55.26 5.62 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.123 1.461 . . . . 0.0 108.711 168.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 54' ' ' VAL . 5.5 tt -41.62 -42.15 2.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 129.272 3.029 . . . . 0.0 113.664 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -59.13 -35.48 73.54 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.84 -14.91 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.684 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -81.69 -24.44 36.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.639 2.376 . . . . 0.0 112.042 166.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mmm -79.13 -52.72 7.81 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.919 -1.113 . . . . 0.0 112.945 -164.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.33 3.13 0.2 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.306 2.242 . . . . 0.0 113.996 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -142.73 -52.02 0.38 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 128.81 2.844 . . . . 0.0 109.169 -146.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -123.52 -0.33 8.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.8 28.38 0.16 Allowed Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 167.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -34.18 -14.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.36 2 C-N-CA 127.523 5.482 . . . . 0.0 123.05 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.41 52.38 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 121.472 1.942 . . . . 0.0 115.195 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CD2' HD21 ' A' ' 57' ' ' LEU . 92.2 m-85 -87.91 -5.85 58.35 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.055 1.427 . . . . 0.0 111.769 169.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.1 3.67 29.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.649 2.379 . . . . 0.0 111.478 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.4 -26.29 67.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.43 2.292 . . . . 0.0 111.603 165.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -89.55 -30.28 18.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.801 0.84 . . . . 0.0 112.038 158.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.06 4.33 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 125.984 1.754 . . . . 0.0 113.532 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -162.51 -75.54 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.284 2.233 . . . . 0.0 108.998 149.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 30.0 t70 15.09 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.7 3.2 . . . . 0.0 113.983 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 -10.91 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -172.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.26 2.28 26.64 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.48 2.312 . . . . 0.0 112.657 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.9 -168.42 3.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.006 1.722 . . . . 0.0 109.193 143.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG13 HD22 ' A' ' 33' ' ' LEU . 83.0 t 62.99 -63.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.02 2.128 . . . . 0.0 109.824 -162.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.28 -34.92 11.17 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.186 2.194 . . . . 0.0 112.618 164.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -94.74 -11.15 29.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.7 mm? -90.81 5.8 46.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.023 0.929 . . . . 0.0 110.672 163.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -108.35 -70.25 0.81 Allowed 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.128 2.971 . . . . 0.0 107.398 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -34.44 4.05 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.799 2.44 . . . . 0.0 115.956 -172.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -49.94 74.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.477 1.511 . . . . 0.0 112.319 173.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.12 -34.91 13.46 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.437 1.895 . . . . 0.0 113.391 -171.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.36 -24.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 1 C-N-CA 133.074 4.549 . . . . 0.0 115.644 166.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.31 70.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.247 1.819 . . . . 0.0 115.054 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -18.45 48.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.189 0.996 . . . . 0.0 111.346 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.38 -88.87 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 125.395 1.474 . . . . 0.0 112.252 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -154.46 -40.39 0.09 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 168.83 -36.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 131.161 3.784 . . . . 0.0 109.524 -173.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 26.9 mt-30 -75.95 76.68 2.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.128 0.971 . . . . 0.0 110.993 170.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -45.98 103.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 128.035 2.534 . . . . 0.0 112.364 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.63 167.09 17.66 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.952 2.501 . . . . 0.0 112.582 163.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -56.89 -36.74 70.47 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.023 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -49.54 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.526 1.13 . . . . 0.0 111.131 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.38 -47.48 85.61 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.371 0.668 . . . . 0.0 109.362 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 78' ' ' VAL . 42.0 t80 -59.77 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.643 1.177 . . . . 0.0 112.455 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.541 HG12 HG21 ' B' ' 82' ' ' THR . 11.2 tp -51.32 -43.42 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -175.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.01 -50.25 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.979 1.312 . . . . 0.0 111.154 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -81.01 -18.75 45.75 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.608 HG12 ' SD ' ' B' ' 8' ' ' MET . 92.0 t -58.52 -47.35 88.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 119.732 1.151 . . . . 0.0 107.996 164.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.95 1.32 0.94 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 168.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.81 -39.96 9.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.872 1.214 . . . . 0.0 111.308 156.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -54.72 -36.34 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.732 2.413 . . . . 0.0 111.952 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.1 t -43.3 -53.8 5.0 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.234 1.379 . . . . 0.0 111.444 169.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 m -74.37 -57.07 4.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 0.0 111.246 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -170.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.9 p -146.16 -179.79 6.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.005 2.122 . . . . 0.0 110.245 -169.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -53.66 -51.77 62.09 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 121.486 1.948 . . . . 0.0 112.156 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.88 -38.24 64.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.24 -37.71 57.3 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.216 -0.927 . . . . 0.0 112.945 -177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.88 77.88 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.971 0.909 . . . . 0.0 110.161 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.42 64.9 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.178 0.591 . . . . 0.0 110.969 164.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HG12 ' A' ' 78' ' ' VAL . 6.7 mtm -63.09 -37.0 85.47 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.71 -52.53 6.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 160.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mtt -61.52 -49.02 78.39 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 115.123 -2.37 . . . . 0.0 113.908 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -68.82 -34.51 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 124.849 3.477 . . . . 0.0 113.398 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mm -56.71 -44.31 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.313 0.96 . . . . 0.0 109.303 164.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 15.1 t70 -82.04 -3.18 54.0 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.67 -21.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 126.193 1.797 . . . . 0.0 109.782 165.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' B' ' 28' ' ' LEU . 62.4 t80 -84.91 -43.15 14.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.404 1.081 . . . . 0.0 112.158 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 17.0 t -29.64 -55.91 0.16 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 129.752 3.221 . . . . 0.0 114.12 168.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.408 ' HG3' ' H ' ' B' ' 17' ' ' ARG . 19.8 mtp180 -33.62 -46.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.656 1 C-N-CA 132.001 4.121 . . . . 0.0 114.541 171.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -107.78 -54.76 2.45 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.535 1.134 . . . . 0.0 109.624 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 178.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 119.852 3.279 . . . . 0.0 119.852 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' B' ' 15' ' ' PHE . 9.9 mp -67.77 77.81 0.2 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 122.78 1.276 . . . . 0.0 107.968 156.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -55.25 144.47 24.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 139.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -45.85 -28.45 1.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.186 2.594 . . . . 0.0 113.834 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.36 -25.71 46.52 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.51 1.052 . . . . 0.0 115.008 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.24 -50.92 10.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.096 1.448 . . . . 0.0 109.602 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' B' ' 54' ' ' VAL . 10.6 tt -43.6 -35.8 1.88 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 128.005 2.522 . . . . 0.0 114.504 -174.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -66.26 -41.26 90.17 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.46 -37.26 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.202 0.91 . . . . 0.0 110.295 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.481 HD22 HD21 ' B' ' 28' ' ' LEU . 6.0 tp -51.25 -28.33 11.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.763 2.025 . . . . 0.0 112.06 165.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.48 ' HB3' HD21 ' B' ' 45' ' ' LEU . 0.3 OUTLIER -88.39 -22.9 23.52 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.842 -1.786 . . . . 0.0 113.955 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.29 -10.57 52.13 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 112.41 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 -52.87 1.02 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.787 2.435 . . . . 0.0 109.515 -149.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -106.32 -16.49 14.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.424 1.889 . . . . 0.0 112.637 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.68 44.27 1.28 Allowed Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.77 144.24 35.48 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 121.965 1.738 . . . . 0.0 113.806 170.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.03 -21.28 28.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.247 1.403 . . . . 0.0 114.486 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.27 -15.08 60.54 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.764 1.226 . . . . 0.0 110.103 163.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' B' ' 37' ' ' MET . 0.2 OUTLIER -80.78 -1.31 42.43 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.106 2.563 . . . . 0.0 114.168 177.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -27.25 65.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.985 0.514 . . . . 0.0 111.384 160.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 1.3 m -99.64 -53.9 3.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.249 1.419 . . . . 0.0 111.625 165.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.81 6.17 6.26 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 117.842 1.897 . . . . 0.0 117.842 168.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.439 0.0 OUTLIER 111.05 92.52 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 1 C-N-CA 133.937 4.895 . . . . 0.0 110.854 -179.074 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -136.7 12.11 3.17 Favored 'General case' 0 CA--C 1.548 0.88 1 C-N-CA 132.402 4.281 . . . . 0.0 109.245 -177.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 69.14 0.37 2.79 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.164 2.585 . . . . 0.0 114.045 -166.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -115.13 -8.22 12.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.71 1.604 . . . . 0.0 114.267 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -140.86 -176.93 4.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.346 1.458 . . . . 0.0 112.003 154.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' B' ' 33' ' ' LEU . 54.1 t 59.2 -62.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 127.313 2.245 . . . . 0.0 109.529 -155.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.1 -27.19 13.19 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 113.501 167.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -102.82 -3.0 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.535 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.3 mm? -93.57 -0.99 56.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.654 0.782 . . . . 0.0 109.478 159.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.08 -78.31 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.818 2.847 . . . . 0.0 108.219 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -41.44 -42.89 2.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.865 3.266 . . . . 0.0 115.537 -169.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' B' ' 77' ' ' PHE . 0.8 OUTLIER -45.85 -55.82 6.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.698 1.999 . . . . 0.0 112.874 169.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.564 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.75 -38.61 10.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.161 2.185 . . . . 0.0 112.98 -173.083 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -37.28 -22.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 131.392 3.877 . . . . 0.0 114.749 162.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.25 -32.48 0.18 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.545 1.538 . . . . 0.0 114.829 158.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -97.5 -12.79 22.21 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.263 1.425 . . . . 0.0 113.402 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.81 20.61 1.0 Allowed Glycine 0 CA--C 1.539 1.566 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -164.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 69.93 -40.47 0.46 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 129.961 3.304 . . . . 0.0 116.199 169.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 167.21 6.2 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 130.794 3.638 . . . . 0.0 113.405 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -128.56 90.47 3.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.858 1.263 . . . . 0.0 109.725 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.64 129.67 35.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 125.9 1.68 . . . . 0.0 112.821 -170.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.95 169.95 10.04 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.722 2.809 . . . . 0.0 112.556 170.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -64.8 -27.42 68.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.36 1.064 . . . . 0.0 113.556 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 65.2 p -62.58 -61.96 2.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.362 0.983 . . . . 0.0 110.647 170.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.07 -50.98 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.661 1.985 . . . . 0.0 110.911 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.405 ' CG ' ' CD1' ' B' ' 15' ' ' PHE . 38.7 t80 -58.45 -61.35 2.65 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 116.832 -1.556 . . . . 0.0 111.756 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.86 -35.53 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 121.718 2.054 . . . . 0.0 113.198 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -57.32 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.22 1.008 . . . . 0.0 110.308 171.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' B' ' 60' ' ' ASP . 14.4 m-85 -80.36 -16.47 54.46 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.79 -48.53 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 125.219 1.408 . . . . 0.0 108.541 158.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.2 2.58 4.46 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.95 -38.14 9.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 111.491 156.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -40.18 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.711 2.404 . . . . 0.0 110.563 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.541 HG21 HG12 ' A' ' 75' ' ' ILE . 10.2 t -48.75 -43.88 38.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 166.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 39.5 p -71.95 -38.25 69.82 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.506 -0.746 . . . . 0.0 111.159 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 175.477 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p -156.78 -174.16 4.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.063 2.945 . . . . 0.0 108.756 -162.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -56.61 -51.71 67.62 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 122.15 2.25 . . . . 0.0 111.497 168.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.464 HD13 HG11 ' B' ' 14' ' ' VAL . 5.4 tp -54.36 -56.78 15.1 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.395 1.878 . . . . 0.0 110.889 174.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.17 -23.99 51.52 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.3 -39.47 65.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.375 1.443 . . . . 0.0 111.029 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.0 88.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.653 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtm -64.81 -29.66 70.63 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.04 -33.06 20.94 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 117.764 -1.576 . . . . 0.0 112.815 161.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.7 mtt -75.68 -39.08 58.11 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.131 1.965 . . . . 0.0 112.823 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.256 0.0 OUTLIER -82.48 -29.97 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.745 1.157 . . . . 0.0 113.726 177.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.66 -31.5 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 117.161 -1.4 . . . . 0.0 110.894 162.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.58 -58.16 9.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 121.554 1.979 . . . . 0.0 110.307 165.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -45.42 -41.58 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.974 1.261 . . . . 0.0 111.914 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 28' ' ' LEU . 41.6 t80 -67.02 -54.89 17.36 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 168.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -59.28 0.47 0.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.977 2.511 . . . . 0.0 114.555 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -114.66 -43.71 3.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 131.583 3.953 . . . . 0.0 111.051 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.28 -42.41 10.4 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 p -64.68 -30.91 71.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.03 -1.044 . . . . 0.0 111.205 157.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.97 0.75 76.9 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-O 117.907 -1.496 . . . . 0.0 114.799 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.491 1.58 1 C-N-CA 132.002 4.121 . . . . 0.0 112.213 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 117.361 2.356 . . . . 0.0 117.361 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' A' ' 15' ' ' PHE . 6.1 mp -71.43 73.59 0.73 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 166.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.2 147.07 8.12 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 144.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -35.53 -37.3 0.09 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.536 2.735 . . . . 0.0 113.675 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.57 -27.04 48.93 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.541 1.067 . . . . 0.0 115.517 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.8 -52.49 8.27 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.325 1.45 . . . . 0.0 109.265 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tt -44.64 -35.13 2.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.094 2.958 . . . . 0.0 114.347 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -66.14 -41.85 89.89 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -47.88 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 119.933 1.242 . . . . 0.0 109.977 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.37 -30.32 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 113.815 161.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.538 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -92.07 -18.32 23.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 120.22 1.373 . . . . 0.0 113.921 -176.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.42 -31.73 72.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.09 1.314 . . . . 0.0 110.084 165.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.76 -64.11 1.19 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 129.697 3.199 . . . . 0.0 112.802 -170.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.74 -11.19 14.0 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.79 1.636 . . . . 0.0 112.069 -164.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.22 36.14 0.3 Allowed Pre-proline 0 CA--C 1.561 1.368 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 166.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.91 145.53 73.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 CA-C-N 122.544 1.944 . . . . 0.0 112.409 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.55 -37.64 3.36 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.661 1.124 . . . . 0.0 112.686 -170.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.57 -21.64 64.48 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.124 1.462 . . . . 0.0 111.287 168.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.9 OUTLIER -78.09 1.21 21.84 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.241 2.216 . . . . 0.0 114.868 177.57 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -58.85 -29.46 66.97 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.172 0.897 . . . . 0.0 111.258 157.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -93.38 -65.73 0.97 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.699 1.199 . . . . 0.0 109.321 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.27 -13.63 19.96 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 162.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.599 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.271 0.0 OUTLIER -177.14 -84.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.04 2.136 . . . . 0.0 109.938 169.778 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.599 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 2.8 p30 50.11 2.88 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 128.585 2.754 . . . . 0.0 117.89 166.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.351 0.0 OUTLIER 72.54 -8.42 1.22 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.804 3.242 . . . . 0.0 114.446 -170.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -124.55 14.95 8.83 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.206 1.366 . . . . 0.0 114.315 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.25 173.93 11.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.358 1.063 . . . . 0.0 110.671 153.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t 61.28 -64.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.597 1.559 . . . . 0.0 110.447 -164.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -39.31 -37.48 0.44 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 129.194 2.997 . . . . 0.0 113.691 158.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -98.91 -8.7 25.2 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.1 mm? -87.17 3.89 44.62 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.728 0.811 . . . . 0.0 110.012 162.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -111.55 -66.56 1.07 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 130.343 3.457 . . . . 0.0 108.7 172.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -32.68 21.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.026 2.131 . . . . 0.0 115.305 -171.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -50.81 72.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.67 1.988 . . . . 0.0 111.426 172.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.49 -37.46 13.14 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.268 1.827 . . . . 0.0 113.322 -170.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -27.57 -35.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 1 C-N-CA 131.745 4.018 . . . . 0.0 115.004 168.048 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.85 34.16 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.856 1.662 . . . . 0.0 115.114 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -6.31 59.12 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.038 1.735 . . . . 0.0 111.285 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.96 -86.62 0.13 Allowed Glycine 0 C--N 1.342 0.888 0 CA-C-N 119.938 1.245 . . . . 0.0 112.514 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -154.7 -42.63 0.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.536 1.134 . . . . 0.0 113.204 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 162.47 -30.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 130.95 3.7 . . . . 0.0 111.167 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.03 93.74 9.44 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 120.926 -1.109 . . . . 0.0 109.612 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 111.57 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.425 1.89 . . . . 0.0 113.492 -170.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.03 168.61 16.71 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 128.919 2.888 . . . . 0.0 113.284 165.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -60.05 -34.95 74.1 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -65.87 -55.16 18.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.395 1.078 . . . . 0.0 110.654 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.14 -49.86 62.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.827 1.251 . . . . 0.0 110.344 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 78' ' ' VAL . 34.8 t80 -57.19 -68.38 0.23 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.87 175.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -53.74 -42.84 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 121.129 1.786 . . . . 0.0 113.2 -172.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -54.73 -52.74 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.321 1.048 . . . . 0.0 110.508 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.58 -13.5 56.44 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG12 ' SD ' ' B' ' 8' ' ' MET . 69.1 t -58.68 -50.56 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 121.219 1.827 . . . . 0.0 107.293 165.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -11.76 8.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.89 -43.19 13.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.565 1.075 . . . . 0.0 111.646 161.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.401 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 1.1 mm -50.42 -45.34 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 129.329 3.051 . . . . 0.0 112.071 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 t -46.06 -51.53 13.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.748 0.703 . . . . 0.0 112.039 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -70.74 -51.85 24.64 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.258 1.423 . . . . 0.0 112.022 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 81' ' ' ILE . . . . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 126.78 2.032 . . . . 0.0 114.341 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.179 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -140.7 -106.14 0.15 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.822 1.249 . . . . 0.0 110.573 -164.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -127.17 -50.25 1.43 Allowed 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 107.281 158.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -50.14 -55.34 15.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.126 1.37 . . . . 0.0 112.262 164.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 60.2 mt-10 -72.43 -29.96 64.18 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.46 -0.775 . . . . 0.0 112.198 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -38.83 66.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.064 0.847 . . . . 0.0 111.668 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -44.68 76.9 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 124.618 1.167 . . . . 0.0 110.139 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.434 ' SD ' HG12 ' A' ' 78' ' ' VAL . 60.8 mtm -63.06 -31.8 73.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 173.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.68 -53.73 3.59 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-O 118.096 -1.391 . . . . 0.0 110.956 157.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mtt -66.14 -39.5 89.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 115.147 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -73.57 -29.51 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.459 1.481 . . . . 0.0 111.963 174.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.27 -24.24 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 118.673 0.67 . . . . 0.0 110.911 163.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -79.53 -34.2 41.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.971 1.709 . . . . 0.0 112.376 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 4' ' ' LEU . 50.7 t -59.72 -27.56 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.702 -1.249 . . . . 0.0 111.069 160.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -85.07 -7.27 59.18 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.052 -1.03 . . . . 0.0 113.351 167.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.7 t -101.82 -3.45 27.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.59 1.556 . . . . 0.0 112.975 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.23 -75.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.84 2.456 . . . . 0.0 109.244 164.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -80.47 -71.0 0.48 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 126.402 1.881 . . . . 0.0 110.442 -170.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 126.634 1.974 . . . . 0.0 115.4 161.326 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 119.25 3.055 . . . . 0.0 119.25 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.05 73.1 0.19 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.054 1.342 . . . . 0.0 110.1 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.409 HG23 ' H ' ' B' ' 32' ' ' GLU . 10.0 t -50.64 149.42 3.28 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 139.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -55.15 -28.14 50.66 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.511 1.524 . . . . 0.0 114.014 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.42 -28.12 53.28 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.716 -1.047 . . . . 0.0 114.458 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.409 ' H ' HG23 ' B' ' 29' ' ' THR . 36.7 tp10 -78.46 -48.57 15.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.578 1.551 . . . . 0.0 109.184 171.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG13 ' B' ' 54' ' ' VAL . 9.1 tt -41.34 -46.36 3.27 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 127.838 2.455 . . . . 0.0 113.578 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -66.24 -34.62 78.43 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.76 -22.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.857 0.863 . . . . 0.0 111.952 -169.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.6 -32.31 64.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 130.847 3.659 . . . . 0.0 112.139 166.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.44 ' HB2' HD21 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -82.74 -22.68 34.31 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.26 -1.525 . . . . 0.0 113.243 -168.504 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.44 -27.56 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.701 1.137 . . . . 0.0 111.735 167.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -108.21 -54.59 2.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.128 2.171 . . . . 0.0 110.301 -159.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -113.65 -6.95 13.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.278 1.831 . . . . 0.0 112.471 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -136.1 40.65 0.52 Allowed Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -53.78 141.24 66.02 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.061 1.841 . . . . 0.0 114.131 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.79 -34.82 5.39 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.913 1.721 . . . . 0.0 113.436 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -60.39 -17.96 47.32 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.118 0.959 . . . . 0.0 112.104 162.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' B' ' 37' ' ' MET . 0.3 OUTLIER -94.83 16.53 15.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 127.53 2.332 . . . . 0.0 114.373 -177.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -32.83 -30.59 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.694 2.398 . . . . 0.0 115.961 156.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 52.0 m -127.69 1.87 6.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.61 1.964 . . . . 0.0 112.991 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 -55.16 0.08 OUTLIER Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.551 1.072 . . . . 0.0 112.296 -153.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' HB3' ' B' ' 53' ' ' ALA . 5.9 mttt 74.64 138.3 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 130.548 3.539 . . . . 0.0 114.648 167.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -155.64 6.64 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.701 2.0 . . . . 0.0 112.437 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -137.16 -62.65 0.62 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.785 1.634 . . . . 0.0 111.289 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -106.86 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.413 1.885 . . . . 0.0 109.775 173.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . . . -72.87 -171.02 0.79 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.386 1.448 . . . . 0.0 111.691 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.612 HG13 HD22 ' B' ' 33' ' ' LEU . 21.0 t 59.66 -61.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.04 1.736 . . . . 0.0 109.629 -149.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -54.53 -30.33 53.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.087 1.355 . . . . 0.0 112.676 165.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -95.42 -6.17 41.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.374 1.443 . . . . 0.0 114.336 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.463 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.3 mm? -86.09 -1.78 57.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.536 -0.727 . . . . 0.0 109.461 159.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.36 -75.22 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.649 2.38 . . . . 0.0 108.712 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -39.68 5.53 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.435 3.094 . . . . 0.0 115.348 -169.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -48.03 80.53 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.507 1.523 . . . . 0.0 112.231 174.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -91.02 -44.37 9.36 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.313 1.845 . . . . 0.0 112.456 -174.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -27.34 -35.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.987 1 C-N-CA 132.306 4.243 . . . . 0.0 115.166 165.055 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.75 34.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 0.0 115.506 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -12.13 49.32 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.295 1.438 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.0 -63.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 CA-C-N 120.105 1.32 . . . . 0.0 114.958 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.59 -60.92 0.1 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -168.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.69 -44.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.778 3.631 . . . . 0.0 108.672 -154.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -65.14 84.34 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.613 -0.679 . . . . 0.0 110.744 150.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 61' ' ' LEU . 54.9 t -50.92 106.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 128.613 2.765 . . . . 0.0 111.4 173.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 176.0 7.71 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.707 1.14 . . . . 0.0 113.358 166.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -34.89 69.52 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.701 1.6 . . . . 0.0 113.567 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -68.05 -53.68 23.88 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.202 1.401 . . . . 0.0 110.508 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' B' ' 69' ' ' VAL . 11.0 mt-10 -50.14 -51.12 46.0 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.538 1.535 . . . . 0.0 110.065 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.55 -67.05 0.4 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.309 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.72 -40.31 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.172 1.351 . . . . 0.0 112.541 -170.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.78 -54.3 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.8 1.24 . . . . 0.0 111.343 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.58 -21.33 38.48 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.5 -48.63 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 124.788 1.235 . . . . 0.0 109.253 163.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -8.9 13.46 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.94 -43.8 10.32 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.141 1.337 . . . . 0.0 111.22 162.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -45.28 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.264 2.225 . . . . 0.0 110.778 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -49.8 -54.35 19.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.674 0.67 . . . . 0.0 112.623 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -79.42 -10.94 59.91 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 119.351 0.978 . . . . 0.0 109.823 163.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 34.6 ttm . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.2 p -158.45 -172.57 3.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.212 3.005 . . . . 0.0 108.536 -160.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.89 -65.05 0.63 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 122.201 2.273 . . . . 0.0 111.85 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.789 HD22 HG22 ' B' ' 11' ' ' ILE . 3.0 tm? -42.21 -54.14 3.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.459 2.704 . . . . 0.0 111.061 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.2 mt-10 -82.65 -26.01 32.55 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.9 -34.39 44.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.539 1.518 . . . . 0.0 111.518 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.3 77.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.449 0.568 . . . . 0.0 109.774 163.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 47.4 mtm -63.89 -30.68 71.74 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 169.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.11 -31.71 19.15 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 117.854 -1.525 . . . . 0.0 112.953 161.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 mtt -79.57 -38.76 33.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.196 1.998 . . . . 0.0 113.14 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.42 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -76.66 -30.0 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.516 1.507 . . . . 0.0 112.41 175.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -66.71 -35.48 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.069 159.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 37.3 t70 -63.66 -39.73 95.06 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 121.583 1.992 . . . . 0.0 113.042 172.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 HD13 ' B' ' 4' ' ' LEU . 53.2 t -56.7 -22.96 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 121.039 1.745 . . . . 0.0 112.115 172.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' HD13 ' A' ' 28' ' ' LEU . 32.9 t80 -81.87 -46.11 14.56 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 112.424 165.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.33 -17.62 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.739 2.015 . . . . 0.0 114.913 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.501 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.3 OUTLIER -64.55 -55.6 19.46 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.228 2.211 . . . . 0.0 110.953 162.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -101.35 -55.01 2.64 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.685 1.194 . . . . 0.0 113.366 -161.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -21.96 66.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.508 0.67 . . . . 0.0 110.928 162.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.34 38.26 Favored Glycine 0 CA--C 1.535 1.304 0 O-C-N 120.752 -1.218 . . . . 0.0 114.19 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.482 1.148 1 C-N-CA 131.96 4.104 . . . . 0.0 112.213 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 118.664 2.838 . . . . 0.0 118.664 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.9 mp -65.87 73.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.333 1.453 . . . . 0.0 110.763 164.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -54.72 152.85 6.56 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.099 0.959 . . . . 0.0 108.464 148.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -45.4 -38.01 5.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.846 2.058 . . . . 0.0 114.324 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.66 -24.46 58.39 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.374 0.988 . . . . 0.0 114.993 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.55 -42.73 16.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.694 1.247 . . . . 0.0 110.363 171.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -49.08 -45.09 42.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.977 1.711 . . . . 0.0 110.89 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CB ' ' HZ2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -70.52 -41.09 73.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 m -68.84 -17.91 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 120.029 1.286 . . . . 0.0 113.588 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.43 -39.41 62.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.541 3.137 . . . . 0.0 112.377 165.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.456 ' CB ' HD21 ' A' ' 45' ' ' LEU . 1.2 mmm -78.73 -26.6 44.72 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -164.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.56 -33.86 70.4 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 120.888 1.677 . . . . 0.0 110.764 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -89.1 -50.13 6.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.693 2.397 . . . . 0.0 110.249 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -122.53 -1.78 9.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.73 1.212 . . . . 0.0 114.061 -164.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.68 40.48 0.43 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 124.57 1.148 . . . . 0.0 113.862 164.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.73 140.57 84.64 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.0 1.8 . . . . 0.0 111.904 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.71 8.3 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.9 1.238 . . . . 0.0 113.097 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -69.33 -11.97 61.26 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.082 1.441 . . . . 0.0 111.406 163.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -92.8 13.02 21.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.205 1.802 . . . . 0.0 114.269 -177.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -53.88 -31.87 51.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.466 0.575 . . . . 0.0 111.786 161.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.12 -54.71 2.73 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.815 1.646 . . . . 0.0 111.821 166.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.58 33.3 81.36 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.471 0.558 . . . . 0.0 113.939 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 -158.46 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -152.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.18 -32.17 1.08 Allowed 'General case' 0 CA--C 1.558 1.276 1 C-N-CA 132.681 4.392 . . . . 0.0 109.688 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -108.79 -9.2 15.22 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.45 -176.03 5.23 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.913 1.685 . . . . 0.0 111.643 173.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 47.56 -69.2 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 129.852 3.261 . . . . 0.0 116.819 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.97 -46.8 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.526 1.13 . . . . 0.0 109.908 160.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.84 -27.52 64.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.49 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -90.55 -15.6 30.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.725 1.148 . . . . 0.0 112.973 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.95 -73.08 0.1 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 143.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.09 -64.3 0.47 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.394 1.078 . . . . 0.0 112.56 -169.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.7 42.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.279 2.231 . . . . 0.0 115.649 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -48.35 11.37 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 124.587 1.179 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD12 HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -72.36 -41.2 66.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.698 0.799 . . . . 0.0 111.535 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.6 -39.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.976 3.71 . . . . 0.0 114.905 169.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.9 45.49 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.06 -10.68 46.53 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.51 -70.04 0.01 OUTLIER Glycine 0 N--CA 1.47 0.96 0 CA-C-N 121.078 1.763 . . . . 0.0 115.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -147.76 -64.06 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.24 -51.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.268 3.427 . . . . 0.0 107.959 -155.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -67.68 97.25 0.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.565 0.746 . . . . 0.0 109.77 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 61' ' ' LEU . 4.9 t -72.06 114.47 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.77 2.028 . . . . 0.0 112.85 -171.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.51 168.46 10.91 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.778 2.831 . . . . 0.0 113.633 164.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -62.94 -32.75 74.12 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.767 -1.208 . . . . 0.0 112.41 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.9 p -63.95 -54.41 34.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.103 0.865 . . . . 0.0 110.513 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HB2' HG13 ' A' ' 69' ' ' VAL . 26.3 mt-10 -48.29 -53.06 18.61 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 126.117 1.767 . . . . 0.0 110.399 173.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.55 -64.83 0.8 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.093 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' B' ' 82' ' ' THR . 8.4 tp -56.25 -37.69 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.169 1.349 . . . . 0.0 112.989 -170.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.3 -50.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.481 1.112 . . . . 0.0 111.194 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.406 ' CB ' HD22 ' A' ' 61' ' ' LEU . 8.7 m-85 -79.54 -22.34 43.99 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' SD ' ' B' ' 8' ' ' MET . 39.7 t -55.72 -47.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.317 1.047 . . . . 0.0 108.809 165.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 82' ' ' THR . . . -62.33 -9.69 8.88 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 168.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.91 -36.97 13.84 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.323 1.419 . . . . 0.0 111.897 163.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mm -57.44 -43.52 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.908 1.683 . . . . 0.0 110.443 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 HG12 ' B' ' 75' ' ' ILE . 10.1 t -60.97 -21.26 63.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 117.188 -1.387 . . . . 0.0 114.499 170.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 p -74.47 -37.86 63.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 121.288 1.858 . . . . 0.0 110.674 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.589 0 C-N-CA 124.623 1.169 . . . . 0.0 112.798 174.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.26 173.27 8.87 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.747 1.619 . . . . 0.0 110.36 173.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.501 ' CD ' HH22 ' A' ' 17' ' ' ARG . 31.4 tt0 -67.09 -39.2 86.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.652 2.024 . . . . 0.0 111.89 172.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 14' ' ' VAL . 1.8 tp -48.51 -61.42 2.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.776 1.274 . . . . 0.0 110.646 171.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.96 -35.01 76.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.713 1.605 . . . . 0.0 112.546 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.95 -36.04 49.67 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.957 -1.089 . . . . 0.0 112.903 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.19 96.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.262 0.937 . . . . 0.0 109.544 168.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.458 ' SD ' HG12 ' A' ' 78' ' ' VAL . 69.0 mtm -60.48 -37.91 82.56 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 167.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.5 -9.31 3.31 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 117.515 -1.714 . . . . 0.0 115.64 163.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.0 mtt -95.86 -43.78 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.279 2.039 . . . . 0.0 112.002 167.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.789 HG22 HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -71.42 -42.24 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.256 1.844 . . . . 0.0 112.685 175.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -52.77 -25.7 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.132 0.878 . . . . 0.0 110.677 163.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.53 -11.28 43.29 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 116.285 1.958 . . . . 0.0 116.285 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' B' ' 36' ' ' LEU . 58.6 t -65.95 -40.86 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 108.94 155.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.59 -26.93 67.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 166.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -75.27 -6.33 49.25 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.65 -59.19 2.88 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 121.664 2.029 . . . . 0.0 110.124 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.59 -69.61 0.73 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.112 1.765 . . . . 0.0 110.385 -165.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 128.238 2.615 . . . . 0.0 113.534 162.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 119.223 3.045 . . . . 0.0 119.223 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.21 82.36 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.334 1.053 . . . . 0.0 111.157 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -61.63 154.69 24.41 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 122.053 0.93 . . . . 0.0 109.304 147.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' B' ' 50' ' ' ASP . 51.9 tttt -59.59 -23.76 63.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.401 1.88 . . . . 0.0 114.54 -172.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.8 -36.24 19.71 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.175 0.893 . . . . 0.0 113.568 173.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.55 -49.48 53.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.75 1.22 . . . . 0.0 110.418 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -43.79 -40.05 4.15 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 126.665 1.986 . . . . 0.0 112.912 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -64.39 -57.07 10.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.763 2.425 . . . . 0.0 112.649 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.63 -19.35 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.896 1.679 . . . . 0.0 112.682 -174.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' B' ' 14' ' ' VAL . 48.6 tp -76.95 -41.61 42.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.773 2.429 . . . . 0.0 112.68 172.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt -71.69 -30.86 66.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.54 0.736 . . . . 0.0 112.462 -167.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -53.52 -35.66 60.92 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.762 1.625 . . . . 0.0 112.006 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -97.67 -50.39 4.49 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 126.706 2.002 . . . . 0.0 110.324 -167.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -116.76 -5.02 11.58 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -166.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.02 28.29 0.16 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -46.39 132.33 15.61 Favored 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 122.849 2.366 . . . . 0.0 116.303 -174.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.23 -20.41 16.42 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.968 2.223 . . . . 0.0 114.275 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -69.1 -14.72 63.17 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.945 1.872 . . . . 0.0 111.93 156.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -0.47 4.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.426 3.09 . . . . 0.0 113.264 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -50.4 -27.5 6.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.899 0.88 . . . . 0.0 112.443 153.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.418 ' OG ' ' OD1' ' B' ' 52' ' ' ASP . 30.9 m -102.32 -66.2 0.94 Allowed 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 126.227 1.811 . . . . 0.0 109.935 165.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.18 14.61 26.37 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.393 0.996 . . . . 0.0 113.894 -167.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -95.1 -93.2 0.19 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-O 117.376 -1.297 . . . . 0.0 113.587 -142.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.418 ' HA ' ' HE3' ' B' ' 30' ' ' LYS . 11.3 t0 134.31 -36.78 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.671 3.188 . . . . 0.0 110.338 -153.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -101.43 -10.78 19.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' OG ' ' B' ' 47' ' ' SER . 0.4 OUTLIER -135.26 -84.69 0.4 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 116.912 -1.518 . . . . 0.0 109.933 167.4 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' H ' ' B' ' 56' ' ' LYS . . . -93.08 -168.85 2.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.662 1.574 . . . . 0.0 111.205 165.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.78 -53.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.908 1.683 . . . . 0.0 110.086 -144.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.46 -35.19 67.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.155 1.382 . . . . 0.0 113.53 166.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.406 ' H ' ' HA ' ' B' ' 53' ' ' ALA . 29.3 mmtm -87.4 -3.82 59.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.35 1.432 . . . . 0.0 114.473 172.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.13 -4.7 58.21 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.552 -0.717 . . . . 0.0 110.565 159.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.33 -75.14 0.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.906 1.682 . . . . 0.0 109.453 165.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -41.51 4.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 130.384 3.474 . . . . 0.0 114.974 -166.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.84 -48.93 79.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.146 1.778 . . . . 0.0 111.864 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.612 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -85.26 -45.78 11.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.773 1.629 . . . . 0.0 112.281 -178.231 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -30.35 -34.63 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 131.961 4.104 . . . . 0.0 115.058 168.048 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.26 -23.55 9.17 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.505 1.522 . . . . 0.0 115.076 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.75 0.05 57.35 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 126.581 1.952 . . . . 0.0 111.153 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -142.26 -89.06 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.912 1.244 . . . . 0.0 112.772 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.22 -39.86 0.07 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.029 1.332 . . . . 0.0 112.717 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 166.31 -32.39 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 130.994 3.718 . . . . 0.0 110.608 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -85.83 95.54 9.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.09 -1.006 . . . . 0.0 109.55 170.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 73' ' ' GLU . 34.6 t -63.51 111.32 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 126.947 2.099 . . . . 0.0 112.144 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.12 167.23 16.53 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.675 2.39 . . . . 0.0 113.127 163.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -59.41 -33.51 71.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.636 1.174 . . . . 0.0 112.51 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -64.73 -56.78 11.54 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.239 1.015 . . . . 0.0 110.948 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.451 ' HB2' HG13 ' B' ' 69' ' ' VAL . 5.1 mt-10 -49.07 -54.06 17.66 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.043 1.737 . . . . 0.0 110.78 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 38.1 t80 -50.05 -66.09 0.45 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.849 1.659 . . . . 0.0 110.781 173.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.505 HG12 HG21 ' A' ' 82' ' ' THR . 8.2 tp -64.09 -36.28 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.641 1.11 . . . . 0.0 112.591 -166.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.72 -52.05 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.511 1.124 . . . . 0.0 110.605 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -80.99 -20.53 41.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' B' ' 74' ' ' PHE . 25.2 t -56.53 -47.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 124.637 1.175 . . . . 0.0 108.667 163.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -1.31 1.82 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 168.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.78 -40.26 9.44 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.997 1.271 . . . . 0.0 111.673 158.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mm -54.22 -35.97 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.898 2.079 . . . . 0.0 111.634 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.445 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.9 t -53.66 -49.06 68.76 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.057 0.844 . . . . 0.0 112.833 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 42.8 p -61.25 -32.42 72.23 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.404 -0.81 . . . . 0.0 112.217 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 125.094 1.358 . . . . 0.0 114.076 174.654 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 p -70.66 178.74 2.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.389 1.876 . . . . 0.0 111.249 162.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.69 -47.48 70.44 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.662 -1.274 . . . . 0.0 112.338 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -60.66 3.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.568 1.547 . . . . 0.0 110.426 172.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.07 -30.05 70.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 116.988 -1.482 . . . . 0.0 112.873 -172.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.96 -24.74 28.19 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.54 2.336 . . . . 0.0 112.832 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.75 96.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.752 1.16 . . . . 0.0 109.821 158.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.427 ' SD ' HG12 ' B' ' 78' ' ' VAL . 28.9 mtt -70.44 -20.87 62.87 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 167.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.78 88.13 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.817 1.675 . . . . 0.0 111.452 168.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.45 -21.92 59.36 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.093 1.446 . . . . 0.0 113.291 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.4 -54.22 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.836 -1.165 . . . . 0.0 110.847 160.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.24 -21.65 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.032 0.933 . . . . 0.0 110.824 171.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -79.86 -33.06 40.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.36 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -67.45 -29.68 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 122.165 2.257 . . . . 0.0 110.643 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 58.5 t80 -63.87 -51.71 63.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 111.834 160.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -70.15 2.84 3.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.06 1.344 . . . . 0.0 114.248 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -54.75 5.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.434 2.293 . . . . 0.0 110.138 159.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -91.18 -48.51 6.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.237 1.415 . . . . 0.0 113.359 -168.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.19 93.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.685 158.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.36 68.09 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 118.784 -1.009 . . . . 0.0 114.207 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.489 1.479 1 C-N-CA 132.626 4.37 . . . . 0.0 110.884 -171.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 72.99 3.72 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.345 1.069 . . . . 0.0 108.887 170.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -52.33 148.57 6.49 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.619 149.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -32.07 -41.21 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 129.371 3.069 . . . . 0.0 115.76 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.21 -25.66 25.81 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -74.2 -43.94 55.23 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.878 1.339 . . . . 0.0 109.452 170.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' A' ' 54' ' ' VAL . 6.0 tt -49.56 -44.52 46.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.082 2.153 . . . . 0.0 113.343 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -37.73 76.6 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.11 -47.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.963 0.801 . . . . 0.0 109.939 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.2 -29.69 9.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.125 1.77 . . . . 0.0 112.881 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.455 ' HG3' HD23 ' A' ' 33' ' ' LEU . 5.6 mmt -85.56 -16.3 39.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.145 -1.597 . . . . 0.0 112.738 -178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -32.4 73.94 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.756 1.162 . . . . 0.0 110.847 162.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 39' ' ' LYS . 1.7 mmmp? -86.67 -59.23 2.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.674 2.39 . . . . 0.0 110.944 -174.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.56 -40.89 14.77 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.189 1.395 . . . . 0.0 114.48 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.79 47.77 2.46 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.159 1.384 . . . . 0.0 113.225 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -41.47 -37.53 3.45 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.765 2.976 . . . . 0.0 117.813 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 -14.89 81.91 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 120.039 1.291 . . . . 0.0 115.351 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.88 -17.07 62.14 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.798 -1.413 . . . . 0.0 111.39 168.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 0.32 13.6 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.37 -26.46 52.97 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.475 0.579 . . . . 0.0 112.317 156.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -85.21 -72.49 0.48 Allowed 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.043 0.537 . . . . 0.0 109.996 156.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 3.16 3.26 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.917 1.246 . . . . 0.0 115.202 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -132.45 98.34 4.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 126.902 2.081 . . . . 0.0 109.586 -156.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.72 13.35 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 1 C-N-CA 132.343 4.257 . . . . 0.0 117.485 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -106.26 -13.73 15.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.935 2.094 . . . . 0.0 112.257 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -121.7 -94.61 0.5 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.791 1.237 . . . . 0.0 110.807 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.06 -164.26 0.72 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.177 1.353 . . . . 0.0 110.325 160.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 33' ' ' LEU . 53.4 t 62.56 -54.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 126.2 1.8 . . . . 0.0 110.239 -158.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -51.72 -33.63 35.39 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.729 2.012 . . . . 0.0 113.478 160.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -89.68 -4.15 57.89 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.99 -2.91 56.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 164.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.266 3.3 tt -96.19 -81.07 0.42 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.941 2.896 . . . . 0.0 106.594 165.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -41.88 -55.59 3.03 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.784 1.634 . . . . 0.0 114.621 -166.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -42.85 43.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.605 1.962 . . . . 0.0 113.097 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.37 -40.29 11.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.988 1.315 . . . . 0.0 112.5 176.451 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -7.3 1.58 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.341 1.456 . . . . 0.0 113.85 175.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.88 -23.59 2.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.386 1.074 . . . . 0.0 113.754 160.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.96 -17.65 49.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.645 1.178 . . . . 0.0 113.676 170.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.06 -96.22 0.66 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.539 2.018 . . . . 0.0 112.969 -169.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -157.64 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.768 1.227 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.39 31.03 1.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.997 2.519 . . . . 0.0 110.535 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -141.71 99.23 3.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.24 2.216 . . . . 0.0 109.511 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.1 t -66.56 118.0 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.165 1.386 . . . . 0.0 112.762 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.86 166.81 22.84 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.443 1.897 . . . . 0.0 113.056 164.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.82 -34.07 73.98 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.617 1.167 . . . . 0.0 113.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 p -63.35 -57.42 10.42 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.754 1.222 . . . . 0.0 110.594 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 4.3 mt-10 -49.15 -51.45 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 130.502 3.521 . . . . 0.0 110.397 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 43.3 t80 -50.0 -67.5 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.802 1.241 . . . . 0.0 111.796 166.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.29 -38.28 73.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 120.239 1.381 . . . . 0.0 112.73 -169.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.66 -55.77 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.762 1.225 . . . . 0.0 110.628 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -76.42 -27.26 56.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.57 -45.29 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.556 167.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.94 -2.85 16.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.63 13.54 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.441 1.019 . . . . 0.0 111.91 157.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.9 mm -55.98 -42.4 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.004 1.322 . . . . 0.0 111.434 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.418 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 11.8 t -57.15 -10.87 1.35 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 171.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 m -106.52 -49.43 3.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.147 1.379 . . . . 0.0 109.324 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 125.268 1.427 . . . . 0.0 112.715 176.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.7 p -142.79 -86.8 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 112.765 -156.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.39 -66.55 0.24 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.744 3.618 . . . . 0.0 104.693 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.8 -56.46 19.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.396 2.279 . . . . 0.0 112.15 161.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -75.34 -24.39 57.34 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.295 -0.878 . . . . 0.0 111.657 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.23 65.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.953 -0.546 . . . . 0.0 111.545 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.08 92.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.835 0.854 . . . . 0.0 111.212 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.418 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 54.8 mtm -60.48 -36.62 78.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.527 1.058 . . . . 0.0 112.875 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.23 -0.93 0.22 Allowed Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.903 1.716 . . . . 0.0 116.337 162.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.9 mtp -106.48 -41.15 5.36 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.206 2.003 . . . . 0.0 111.901 168.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.8 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.974 1.261 . . . . 0.0 112.336 174.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.33 -27.29 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.633 0.773 . . . . 0.0 110.834 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -103.26 6.74 38.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.815 1.646 . . . . 0.0 114.271 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 -28.18 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 120.552 -1.342 . . . . 0.0 110.231 152.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' B' ' 28' ' ' LEU . 53.2 t80 -70.74 -41.43 71.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.246 1.418 . . . . 0.0 113.435 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.4 t -62.58 14.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.991 2.116 . . . . 0.0 114.806 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -60.9 1.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.7 2.4 . . . . 0.0 108.507 165.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -75.93 -76.63 0.15 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.11 2.164 . . . . 0.0 111.314 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.455 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 29.1 t . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 123.359 0.663 . . . . 0.0 112.637 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' B' ' 15' ' ' PHE . 10.3 mp -68.46 73.71 0.23 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.667 1.222 . . . . 0.0 111.313 168.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -56.7 148.62 19.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.431 1.492 . . . . 0.0 108.627 146.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -50.62 -29.86 11.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.149 2.179 . . . . 0.0 113.999 -174.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.16 -26.82 32.69 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.256 1.408 . . . . 0.0 115.256 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -75.31 -46.64 32.16 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.996 1.398 . . . . 0.0 109.407 167.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.42 HD22 HG13 ' B' ' 54' ' ' VAL . 7.5 tt -49.42 -50.45 40.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.792 2.037 . . . . 0.0 112.166 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -57.45 -50.59 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.75 -22.16 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.3 -37.13 66.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.85 2.06 . . . . 0.0 111.717 171.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.591 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.1 mmt -72.15 -19.29 61.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.067 0.947 . . . . 0.0 112.545 -174.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -61.18 -23.96 65.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 112.745 164.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -109.01 -54.6 2.51 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.991 1.716 . . . . 0.0 109.598 -167.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.438 ' CB ' HD12 ' B' ' 41' ' ' LEU . 85.5 mt-10 -83.24 -31.26 27.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' SD ' ' B' ' 37' ' ' MET . 6.6 mp -127.05 30.32 0.19 Allowed Pre-proline 0 CA--C 1.565 1.526 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -171.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -49.43 120.95 6.33 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 123.08 2.136 . . . . 0.0 112.766 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.7 -33.96 4.57 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.652 1.596 . . . . 0.0 113.042 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.571 ' CD2' HD23 ' B' ' 41' ' ' LEU . 8.0 m-85 -70.85 -20.53 62.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.009 1.905 . . . . 0.0 112.113 163.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 1.41 1.73 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.026 1.73 . . . . 0.0 114.62 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -26.13 27.09 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.702 -0.624 . . . . 0.0 111.206 156.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -75.36 -70.63 0.41 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.832 1.653 . . . . 0.0 111.888 160.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.92 2.17 44.42 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.404 2.906 . . . . 0.0 114.876 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.48 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 5.7 ttpm? -161.49 111.96 1.67 Allowed 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 124.77 1.228 . . . . 0.0 108.686 -148.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.3 45.11 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.902 3.281 . . . . 0.0 115.009 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.58 -12.63 2.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.73 2.412 . . . . 0.0 113.593 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -123.34 -79.67 0.62 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.742 1.156 . . . . 0.0 110.646 166.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.7 -156.12 0.54 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.058 0.943 . . . . 0.0 110.122 160.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.42 HG13 HD22 ' B' ' 33' ' ' LEU . 74.6 t 59.9 -57.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.851 1.66 . . . . 0.0 109.778 -148.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -47.58 -32.13 5.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.496 2.319 . . . . 0.0 113.881 161.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -96.14 -9.89 29.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.447 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.8 mm? -81.44 -0.32 41.09 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.535 -0.728 . . . . 0.0 110.508 159.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tt -103.45 -71.26 0.73 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.157 2.583 . . . . 0.0 108.587 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -28.3 8.85 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.239 2.216 . . . . 0.0 116.167 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.04 -49.08 63.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.244 1.018 . . . . 0.0 111.906 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.552 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -86.88 -38.85 16.36 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.687 1.595 . . . . 0.0 112.774 -173.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -25.45 -33.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.838 1 C-N-CA 132.246 4.218 . . . . 0.0 116.178 166.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.51 31.64 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.162 1.785 . . . . 0.0 115.329 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -22.14 30.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.485 1.114 . . . . 0.0 112.158 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.56 -67.2 0.05 OUTLIER Glycine 0 CA--C 1.527 0.796 0 CA-C-N 120.067 1.303 . . . . 0.0 114.037 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -157.67 -62.0 0.09 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.659 0.784 . . . . 0.0 112.752 -170.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.02 -54.22 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 130.005 3.322 . . . . 0.0 107.836 -157.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.19 97.47 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.729 -0.607 . . . . 0.0 109.659 158.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.48 124.56 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.778 1.631 . . . . 0.0 113.559 -168.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 169.42 17.88 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.05 1.74 . . . . 0.0 113.797 164.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -61.26 -29.74 70.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 113.182 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -65.46 -56.35 12.93 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.5 1.92 . . . . 0.0 110.118 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.04 -50.28 67.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.144 0.978 . . . . 0.0 110.563 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 15' ' ' PHE . 35.3 t80 -51.18 -65.91 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.866 1.266 . . . . 0.0 111.921 173.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.9 -38.73 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.325 0.966 . . . . 0.0 111.928 -169.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.41 -39.0 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.116 1.366 . . . . 0.0 112.2 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -95.19 -19.61 19.92 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG12 ' SD ' ' A' ' 8' ' ' MET . 59.5 t -55.01 -34.69 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 119.555 1.071 . . . . 0.0 110.669 165.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.56 65.43 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 169.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.3 -51.13 5.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.556 1.071 . . . . 0.0 109.923 165.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -46.13 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 128.943 2.897 . . . . 0.0 112.665 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -50.29 -28.3 7.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.702 1.601 . . . . 0.0 113.96 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -99.03 -46.04 5.73 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.536 0.735 . . . . 0.0 111.705 166.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -165.088 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.451 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 46.7 ttp . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.2 p -151.55 -172.27 4.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.295 2.638 . . . . 0.0 108.944 -165.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -56.15 -48.92 75.35 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 121.239 1.836 . . . . 0.0 111.309 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 HG22 ' B' ' 78' ' ' VAL . 7.0 tt -61.51 -53.48 55.79 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 128.027 2.531 . . . . 0.0 112.208 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 59.1 mt-10 -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.28 74.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 120.433 1.47 . . . . 0.0 110.993 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.67 84.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.101 0.41 . . . . 0.0 110.804 167.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.22 -32.56 73.24 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.46 -29.19 16.64 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.163 -1.354 . . . . 0.0 112.927 165.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtt -83.96 -31.01 25.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.691 1.746 . . . . 0.0 113.405 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -39.67 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 120.648 1.567 . . . . 0.0 111.186 168.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.9 mm -57.04 -31.94 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.332 164.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.87 -49.78 66.87 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.858 -1.544 . . . . 0.0 111.884 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.09 -30.05 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.554 2.434 . . . . 0.0 112.8 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.81 -49.79 49.24 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.637 -1.29 . . . . 0.0 112.599 164.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -18.25 64.21 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.929 1.692 . . . . 0.0 113.142 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -57.27 3.99 Favored 'General case' 0 CA--C 1.531 0.213 1 C-N-CA 131.994 4.118 . . . . 0.0 108.717 169.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.56 -50.4 12.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.6 p -62.98 -14.72 51.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.181 0.992 . . . . 0.0 112.68 166.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.43 0.67 8.39 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.938 1.732 . . . . 0.0 115.147 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.484 1.259 1 C-N-CA 132.326 4.25 . . . . 0.0 112.629 -172.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.23 68.5 0.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.293 1.037 . . . . 0.0 110.861 167.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 32' ' ' GLU . 9.6 t -56.12 154.7 7.4 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.552 -0.718 . . . . 0.0 109.133 151.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -36.34 -38.22 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 129.345 3.058 . . . . 0.0 114.0 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.56 -34.49 8.49 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.092 1.329 . . . . 0.0 116.003 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tt0 -70.2 -47.48 61.32 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.772 1.786 . . . . 0.0 109.719 173.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -44.9 -52.33 8.76 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.369 1.468 . . . . 0.0 109.699 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -55.08 -54.34 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.438 1.895 . . . . 0.0 113.48 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.8 -10.37 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.32 -28.09 38.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.414 1.485 . . . . 0.0 111.619 165.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -23.54 19.68 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -159.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -20.31 62.87 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 121.669 2.031 . . . . 0.0 111.023 168.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -92.49 -59.07 2.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.699 2.0 . . . . 0.0 110.334 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.93 -4.06 17.06 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -165.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.35 36.77 0.29 Allowed Pre-proline 0 CA--C 1.564 1.5 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 170.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -48.66 133.35 26.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 122.401 1.893 . . . . 0.0 112.998 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.26 -25.67 24.22 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.479 1.514 . . . . 0.0 113.806 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.69 -15.9 60.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.809 1.805 . . . . 0.0 112.356 160.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.81 17.97 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.992 1.717 . . . . 0.0 114.256 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.0 -28.49 66.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 158.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 49' ' ' LYS . 10.3 m -82.24 -73.58 0.39 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.406 0.682 . . . . 0.0 110.476 156.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.09 -19.17 0.06 OUTLIER Glycine 0 CA--C 1.544 1.893 0 C-N-CA 127.302 2.382 . . . . 0.0 116.242 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 47' ' ' SER . 6.8 ttpm? -105.89 106.12 16.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 131.496 3.918 . . . . 0.0 109.042 -173.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -56.71 20.53 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.017 3.727 . . . . 0.0 115.632 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -111.92 -11.02 13.94 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.036 2.134 . . . . 0.0 111.673 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.64 -103.23 0.41 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.456 161.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HA ' ' H ' ' A' ' 56' ' ' LYS . . . -77.79 -160.88 0.21 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.824 1.647 . . . . 0.0 111.459 166.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t 62.4 -60.21 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 126.296 1.838 . . . . 0.0 109.185 -154.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.45 -39.43 64.43 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.161 1.785 . . . . 0.0 112.862 160.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' HA ' ' A' ' 53' ' ' ALA . 26.2 mmtm -90.88 9.65 29.51 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 170.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.77 -65.34 1.0 Allowed 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 146.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -35.9 -64.93 0.28 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.22 1.408 . . . . 0.0 111.861 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -20.53 6.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.156 2.182 . . . . 0.0 115.895 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -42.46 15.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.904 0.775 . . . . 0.0 111.522 176.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -84.67 -34.07 23.08 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.265 1.026 . . . . 0.0 112.584 -179.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -31.39 -41.91 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 131.404 3.882 . . . . 0.0 113.818 162.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.99 -26.8 11.47 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.672 1.589 . . . . 0.0 114.617 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.21 4.36 50.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.89 -70.34 0.01 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 116.07 1.188 . . . . 0.0 116.07 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -159.85 -68.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.0 1.32 . . . . 0.0 111.439 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 160.5 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 130.446 3.498 . . . . 0.0 108.609 -164.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.11 78.41 0.95 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.023 0.916 . . . . 0.0 110.112 163.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 61' ' ' LEU . 19.9 t -48.75 121.12 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 129.105 2.962 . . . . 0.0 113.014 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . 0.254 0.0 OUTLIER -89.81 172.05 9.18 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.122 1.369 . . . . 0.0 113.791 170.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -44.65 43.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.849 1.66 . . . . 0.0 113.731 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.5 p -69.01 -12.79 62.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.076 2.15 . . . . 0.0 114.025 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -106.25 -46.6 4.01 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.147 1.779 . . . . 0.0 107.235 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 18.9 t80 -48.32 -62.36 1.53 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.434 1.894 . . . . 0.0 111.497 159.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -61.14 -40.29 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -163.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.4 t -57.06 -46.8 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.321 1.448 . . . . 0.0 110.7 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -84.13 -21.55 31.37 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 23.5 t -54.03 -46.5 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.613 1.097 . . . . 0.0 108.82 165.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -5.37 12.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.45 -45.3 9.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.997 1.272 . . . . 0.0 110.762 160.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -40.42 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 129.133 2.973 . . . . 0.0 112.288 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -47.86 -39.18 17.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -87.02 -43.15 12.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.381 1.072 . . . . 0.0 111.368 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -164.37 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.6 p -76.62 -170.55 1.58 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.795 3.238 . . . . 0.0 111.892 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -72.91 -44.11 61.61 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.817 3.008 . . . . 0.0 110.909 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.78 -52.03 34.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.55 1.54 . . . . 0.0 110.985 168.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.02 -19.88 50.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.886 -1.054 . . . . 0.0 113.816 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 -40.73 54.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 121.209 1.822 . . . . 0.0 110.987 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.82 77.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.215 0.462 . . . . 0.0 110.621 167.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtm -68.56 -33.85 74.81 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.04 -40.66 10.15 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 118.205 -1.331 . . . . 0.0 111.027 160.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 57.8 mtp -71.3 -25.61 62.51 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 115.745 -2.074 . . . . 0.0 114.969 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB ' ' B' ' 14' ' ' VAL 0.313 0.0 OUTLIER -89.17 -29.5 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 122.954 2.616 . . . . 0.0 113.52 171.023 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.2 -38.2 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 118.68 0.673 . . . . 0.0 109.648 159.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.551 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 17.8 t70 -84.7 -15.66 44.48 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' B' ' 11' ' ' ILE . 0.6 OUTLIER -72.22 -32.61 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.237 -1.539 . . . . 0.0 110.128 161.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' B' ' 28' ' ' LEU . 32.8 t80 -73.45 -38.95 65.31 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 113.07 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 12.2 t -43.97 -35.83 2.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 129.488 3.115 . . . . 0.0 114.847 174.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -50.07 -27.3 5.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.674 2.79 . . . . 0.0 113.33 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -130.91 -53.05 1.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.007 1.723 . . . . 0.0 112.01 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -173.766 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.6 p . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 117.757 2.503 . . . . 0.0 117.757 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' B' ' 15' ' ' PHE . 10.9 mp -71.14 66.08 0.4 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.719 1.247 . . . . 0.0 110.582 167.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -50.39 145.26 6.54 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.315 145.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -41.01 -42.11 1.83 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.859 2.464 . . . . 0.0 114.391 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -24.9 65.12 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.579 1.085 . . . . 0.0 115.223 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -79.71 -52.83 7.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.699 1.25 . . . . 0.0 109.288 167.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.708 HD22 HG13 ' B' ' 54' ' ' VAL . 7.1 tt -43.0 -54.7 4.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.807 2.443 . . . . 0.0 112.15 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -39.49 55.59 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.14 -18.89 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.55 1.14 . . . . 0.0 111.452 -173.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.73 -43.37 15.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.206 1.802 . . . . 0.0 111.712 169.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.517 ' SD ' HD13 ' B' ' 41' ' ' LEU . 12.1 mmt -71.24 -34.41 70.75 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.552 1.141 . . . . 0.0 112.82 -168.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.72 -18.0 4.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.332 1.453 . . . . 0.0 112.807 170.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -115.55 -47.05 2.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.22 2.208 . . . . 0.0 110.255 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -102.13 -14.07 17.22 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.517 HD13 ' SD ' ' B' ' 37' ' ' MET . 5.8 mp -132.42 34.77 0.27 Allowed Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -36.21 111.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.835 3.024 . . . . 0.0 114.071 161.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.75 -42.02 1.53 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.25 1.405 . . . . 0.0 112.956 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -66.89 -21.92 65.98 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 123.073 1.416 . . . . 0.0 111.401 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -1.63 9.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.113 2.565 . . . . 0.0 113.359 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -52.05 -35.35 47.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.049 0.94 . . . . 0.0 112.107 162.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.1 m -108.09 -47.15 3.61 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 124.896 1.279 . . . . 0.0 110.997 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.6 23.47 49.68 Favored Glycine 0 CA--C 1.538 1.509 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.924 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -124.72 162.26 24.6 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -154.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.7 -8.21 4.37 Favored 'General case' 0 CA--C 1.544 0.718 1 C-N-CA 132.115 4.166 . . . . 0.0 115.375 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 -33.9 5.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.554 1.142 . . . . 0.0 112.92 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -149.22 -0.63 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -153.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.51 -67.55 0.3 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.852 1.66 . . . . 0.0 114.097 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.708 HG13 HD22 ' B' ' 33' ' ' LEU . 62.4 t -58.18 -37.78 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.572 0.749 . . . . 0.0 109.559 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.53 -26.15 68.41 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -91.42 -39.56 11.92 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.977 1.262 . . . . 0.0 111.695 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.75 -8.48 3.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.003 164.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 tt -92.59 -80.15 0.38 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.073 2.149 . . . . 0.0 107.89 158.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -41.29 14.72 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.232 1.813 . . . . 0.0 115.861 -166.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -37.18 86.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.065 0.848 . . . . 0.0 111.849 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' N ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -95.22 -43.99 7.82 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.614 1.566 . . . . 0.0 111.897 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -4.83 0.89 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.632 1.573 . . . . 0.0 113.283 174.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.86 -25.76 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.354 158.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.77 -16.38 55.67 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.716 1.206 . . . . 0.0 113.626 170.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -96.49 0.69 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.26 1.886 . . . . 0.0 112.22 -172.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -159.28 -79.21 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.372 1.069 . . . . 0.0 111.377 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.47 24.35 1.25 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.438 1.895 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -138.83 76.87 1.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.957 1.703 . . . . 0.0 111.867 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -42.34 124.18 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 127.631 2.372 . . . . 0.0 114.466 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.72 167.82 11.22 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 127.922 2.489 . . . . 0.0 113.267 168.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -60.15 -38.52 83.4 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.626 -1.296 . . . . 0.0 113.317 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -75.96 1.74 14.48 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.978 0.808 . . . . 0.0 112.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -112.22 -51.75 2.82 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 127.461 2.304 . . . . 0.0 107.297 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.27 -60.53 2.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.819 1.248 . . . . 0.0 111.655 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.0 -39.95 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 120.127 1.33 . . . . 0.0 113.391 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.06 -52.35 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.639 1.176 . . . . 0.0 109.911 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.83 -18.41 47.53 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.428 HG22 HD11 ' A' ' 4' ' ' LEU . 25.4 t -50.36 -51.49 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 120.266 1.394 . . . . 0.0 108.797 161.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -16.86 63.88 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 -19.58 44.27 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.875 -1.141 . . . . 0.0 113.221 164.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.75 -46.47 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.613 1.565 . . . . 0.0 110.876 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.496 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -54.96 -43.58 73.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.209 163.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 17.3 m -64.67 -13.54 54.56 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 125.328 1.451 . . . . 0.0 111.257 171.174 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.477 0.18 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 p -148.0 -175.6 4.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 131.228 3.811 . . . . 0.0 106.531 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.49 -52.8 63.35 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.662 2.028 . . . . 0.0 112.221 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' B' ' 41' ' ' LEU . 1.9 pp -67.48 -36.81 81.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.85 -28.44 58.2 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.652 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.73 82.31 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.502 1.046 . . . . 0.0 110.235 169.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.1 78.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.445 0.698 . . . . 0.0 112.862 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.498 ' SD ' HG12 ' B' ' 78' ' ' VAL . 69.4 mtm -62.5 -33.62 75.23 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.931 1.241 . . . . 0.0 112.912 173.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.44 -40.02 3.51 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.451 161.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mtt -76.58 -18.25 58.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.984 1.892 . . . . 0.0 114.926 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -24.89 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 120.618 1.554 . . . . 0.0 113.285 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.48 -28.28 39.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 147.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -73.72 -42.2 61.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.145 -1.883 . . . . 0.0 113.051 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 3.0 m -60.39 -35.17 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 122.542 2.428 . . . . 0.0 111.965 172.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -58.86 -46.71 87.12 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.398 0.544 . . . . 0.0 111.4 165.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 m -62.92 -24.41 67.84 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 114.011 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -70.31 -46.48 64.14 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.755 1.616 . . . . 0.0 110.045 168.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.411 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 44.1 m-85 -104.37 -24.26 13.1 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -159.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.9 m -75.84 -8.53 57.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.647 1.112 . . . . 0.0 111.667 149.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.89 7.51 36.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.939 1.257 . . . . 0.0 113.99 -166.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.477 0.879 1 C-N-CA 133.728 4.811 . . . . 0.0 107.237 -167.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.9 110.35 22.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.89 3.276 . . . . 0.0 108.407 158.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -74.81 162.06 29.01 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.595 1.089 . . . . 0.0 111.364 160.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -53.06 -33.95 54.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.279 1.832 . . . . 0.0 113.399 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.33 -11.27 72.53 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.799 1.19 . . . . 0.0 115.006 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -100.04 -43.19 6.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 128.187 2.595 . . . . 0.0 109.452 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.29 -25.63 1.64 Allowed 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 128.793 2.837 . . . . 0.0 114.756 165.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -76.23 -43.26 42.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.701 2.046 . . . . 0.0 115.548 -164.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.48 -10.65 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 122.358 1.075 . . . . 0.0 111.966 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 11.8 tp -74.02 -30.08 62.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.78 2.432 . . . . 0.0 111.77 163.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.89 -47.46 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.423 -1.423 . . . . 0.0 111.397 -170.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.85 -5.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 129.151 2.981 . . . . 0.0 115.057 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -141.84 -53.45 0.44 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 129.163 2.985 . . . . 0.0 108.26 -148.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -103.73 -21.73 13.66 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.353 0.0 OUTLIER -147.28 69.75 11.67 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 121.256 1.844 . . . . 0.0 114.818 164.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.77 -5.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.965 5.11 . . . . 0.0 119.714 169.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.99 2.78 87.19 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.807 1.67 . . . . 0.0 115.199 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -118.78 6.79 11.51 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.248 1.419 . . . . 0.0 112.303 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.78 -14.74 24.41 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.437 1.895 . . . . 0.0 112.686 -168.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 46' ' ' GLN . 21.9 mp0 -63.56 -24.31 67.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.347 2.259 . . . . 0.0 110.424 170.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -91.46 -70.22 0.7 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.423 1.489 . . . . 0.0 109.732 153.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.96 -9.48 6.54 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.91 1.924 . . . . 0.0 117.91 168.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' A' ' 50' ' ' ASP 0.297 0.0 OUTLIER -155.54 -67.74 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.677 2.239 . . . . 0.0 114.254 169.135 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 20.2 m-20 29.04 6.58 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 135.891 5.676 . . . . 0.0 120.387 176.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 65.97 3.5 2.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.811 2.445 . . . . 0.0 112.517 -153.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 1.5 t70 -128.37 -169.08 2.01 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 128.263 2.625 . . . . 0.0 111.188 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 48.15 -66.27 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 130.116 3.366 . . . . 0.0 117.47 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.93 -40.81 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.006 1.722 . . . . 0.0 109.578 154.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 34.3 t70 -64.48 -27.94 69.32 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 170.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -92.87 -30.66 15.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.439 1.472 . . . . 0.0 112.124 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.87 1.6 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.519 1.528 . . . . 0.0 113.348 156.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -112.75 -68.83 0.9 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.839 2.456 . . . . 0.0 109.047 164.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -29.12 10.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.739 2.416 . . . . 0.0 115.803 -173.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.09 -37.32 66.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.431 1.014 . . . . 0.0 111.825 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -90.54 -41.15 11.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.762 1.625 . . . . 0.0 112.195 -176.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -28.17 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 132.805 4.442 . . . . 0.0 116.127 168.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.68 -22.68 24.39 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.531 1.532 . . . . 0.0 115.014 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -7.88 56.84 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.293 1.837 . . . . 0.0 111.659 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.16 -77.12 0.02 OUTLIER Glycine 0 C--N 1.343 0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 114.43 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -146.53 -62.68 0.3 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 147.3 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 129.805 3.242 . . . . 0.0 107.714 -156.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.12 101.31 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 152.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.44 108.3 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 126.666 1.986 . . . . 0.0 110.757 -161.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 161.73 10.07 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.367 1.867 . . . . 0.0 112.609 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -56.97 -33.93 67.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.851 . . . . 0.0 112.322 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -65.86 -52.84 46.92 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.516 1.127 . . . . 0.0 110.515 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.99 -50.8 60.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.008 1.323 . . . . 0.0 110.039 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.61 -64.59 0.85 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.771 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.456 HG12 HG21 ' B' ' 82' ' ' THR . 9.0 tp -59.89 -35.59 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.922 1.237 . . . . 0.0 113.292 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.39 -54.19 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.824 0.849 . . . . 0.0 110.222 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -78.07 -16.02 58.4 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.413 HG12 ' SD ' ' B' ' 8' ' ' MET . 47.4 t -56.4 -51.54 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 120.61 1.55 . . . . 0.0 109.203 165.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -58.09 -33.35 69.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.753 0.706 . . . . 0.0 112.865 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.12 -27.7 68.25 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.342 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.45 -47.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 121.329 1.877 . . . . 0.0 112.026 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -59.09 -37.73 77.81 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.846 1.203 . . . . 0.0 110.671 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -47.11 84.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.226 0.61 . . . . 0.0 110.977 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.235 0 C-N-CA 124.43 1.092 . . . . 0.0 112.236 -176.472 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 16.0 p -152.27 -171.05 3.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.376 3.471 . . . . 0.0 107.039 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -65.44 -50.58 64.89 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 123.883 3.038 . . . . 0.0 110.114 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.32 -48.25 68.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.703 2.001 . . . . 0.0 112.672 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -78.79 -22.32 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.701 -1.143 . . . . 0.0 113.747 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.78 67.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 121.447 1.93 . . . . 0.0 110.411 169.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.19 78.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.536 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.413 ' SD ' HG12 ' A' ' 78' ' ' VAL . 76.1 mtm -68.52 -23.28 64.52 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 173.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.48 -44.81 22.45 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.477 -1.179 . . . . 0.0 110.573 159.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 30.8 mtt -69.44 -36.52 76.72 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.778 1.289 . . . . 0.0 113.68 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.43 0.0 OUTLIER -77.83 -9.6 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 171.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -87.24 -21.44 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.988 0 C-N-CA 125.128 1.371 . . . . 0.0 110.997 157.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -78.07 -34.23 50.39 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.147 -1.596 . . . . 0.0 112.644 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.01 -36.84 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 119.233 0.924 . . . . 0.0 112.142 164.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -73.83 -39.12 64.26 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.48 -0.763 . . . . 0.0 109.997 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -71.42 3.46 3.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.248 2.219 . . . . 0.0 113.348 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -71.85 0.28 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.844 1.202 . . . . 0.0 108.271 157.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -40.29 17.05 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -165.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.479 165.646 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.97 98.9 8.41 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.315 1.446 . . . . 0.0 108.455 158.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -69.47 148.72 49.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 109.74 162.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -48.16 -35.51 11.8 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.215 1.806 . . . . 0.0 113.418 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.43 65.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.424 -1.209 . . . . 0.0 115.117 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.46 -44.57 11.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.267 1.534 . . . . 0.0 109.706 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG13 ' B' ' 54' ' ' VAL . 9.8 tt -43.93 -49.63 8.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.846 2.859 . . . . 0.0 112.062 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -51.48 -41.45 60.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.66 -30.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 118.672 0.669 . . . . 0.0 111.238 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.1 -40.28 82.64 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.386 1.875 . . . . 0.0 111.616 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.484 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.3 mmt -64.95 -25.36 67.84 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.148 0.979 . . . . 0.0 112.968 -172.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -25.17 64.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.471 1.108 . . . . 0.0 112.782 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -107.22 -43.35 4.62 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 126.061 1.744 . . . . 0.0 111.086 -165.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -120.37 -9.12 9.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.505 ' CD1' HD21 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -117.6 31.08 0.15 Allowed Pre-proline 0 CA--C 1.565 1.53 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 168.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -39.14 117.86 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 123.548 2.832 . . . . 0.0 114.033 165.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -41.56 1.81 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.975 1.274 . . . . 0.0 112.799 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' B' ' 41' ' ' LEU . 97.2 m-85 -69.45 -20.49 63.76 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.325 1.562 . . . . 0.0 111.632 170.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -7.44 15.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.117 2.567 . . . . 0.0 113.52 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.8 -29.08 66.57 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.298 1.408 . . . . 0.0 111.782 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -100.26 -64.37 1.05 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.688 0.795 . . . . 0.0 109.516 159.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 -8.14 3.63 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 117.519 -1.712 . . . . 0.0 116.283 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.653 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.283 0.0 OUTLIER -160.7 -100.39 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.331 2.065 . . . . 0.0 112.27 167.459 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.653 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 1.9 m-20 52.25 19.74 1.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.652 3.181 . . . . 0.0 114.838 170.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.04 -7.17 0.22 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.343 2.657 . . . . 0.0 114.583 -167.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -131.64 6.78 4.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.444 1.498 . . . . 0.0 114.719 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.4 174.1 10.77 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.057 -1.027 . . . . 0.0 109.428 147.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.434 HG13 HD22 ' B' ' 33' ' ' LEU . 72.3 t 61.41 -57.15 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.278 1.831 . . . . 0.0 110.934 -161.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.73 -37.03 17.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.677 2.391 . . . . 0.0 113.697 164.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -95.88 -5.19 42.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.41 1.084 . . . . 0.0 113.736 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.18 2.92 55.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.224 1.009 . . . . 0.0 110.247 161.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.83 -78.65 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.262 2.625 . . . . 0.0 108.861 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -50.55 10.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.71 2.004 . . . . 0.0 114.502 -170.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -11.34 3.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.724 2.41 . . . . 0.0 114.409 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.597 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.3 OUTLIER -127.04 -35.71 2.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.393 1.877 . . . . 0.0 112.782 174.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -6.29 0.75 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.575 1.55 . . . . 0.0 113.35 167.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.96 -23.3 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.782 -1.199 . . . . 0.0 113.782 158.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.96 -3.85 56.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 125.592 1.557 . . . . 0.0 112.854 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.21 -102.87 0.77 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 127.098 2.285 . . . . 0.0 112.336 -174.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.79 -83.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.27 1.828 . . . . 0.0 110.765 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.44 25.95 2.0 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.623 2.369 . . . . 0.0 111.422 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -139.0 91.74 2.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.882 2.073 . . . . 0.0 109.925 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.97 125.12 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.433 1.893 . . . . 0.0 112.289 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.262 0.4 OUTLIER -87.04 169.4 12.45 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 120.294 1.406 . . . . 0.0 113.906 166.642 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -38.48 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.107 1.363 . . . . 0.0 113.571 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 76' ' ' VAL . 95.4 p -66.21 -54.14 28.72 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 110.101 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.1 -49.43 63.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.198 2.599 . . . . 0.0 110.517 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -53.79 -61.15 2.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.05 171.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -37.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 119.631 1.105 . . . . 0.0 112.93 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 72' ' ' SER . 0.5 OUTLIER -60.89 -48.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 119.863 1.211 . . . . 0.0 111.318 174.224 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.597 ' CG ' HD22 ' B' ' 61' ' ' LEU . 2.2 t80 -74.53 -24.77 59.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 8' ' ' MET . 83.7 t -56.68 -46.64 83.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.997 0.817 . . . . 0.0 109.377 167.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -65.56 -10.78 38.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 169.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.12 24.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.807 1.185 . . . . 0.0 111.884 162.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.27 -44.28 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 119.986 1.266 . . . . 0.0 111.651 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.456 HG21 HG12 ' A' ' 75' ' ' ILE . 12.7 t -65.27 -6.04 8.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 170.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.4 p -98.73 -29.45 13.0 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.53 1.132 . . . . 0.0 111.784 167.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 O-C-N 120.986 -1.071 . . . . 0.0 111.207 170.361 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 p -151.24 -177.71 6.21 Favored 'General case' 0 N--CA 1.474 0.739 1 C-N-CA 132.54 4.336 . . . . 0.0 106.966 -172.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HB2' HD22 ' A' ' 4' ' ' LEU . 17.5 mm-40 -52.34 -44.55 65.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.627 1.558 . . . . 0.0 113.285 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 3' ' ' GLU . 1.6 mm? -102.34 -21.95 14.21 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -173.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.05 -34.11 77.28 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.847 -1.158 . . . . 0.0 111.014 158.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.48 -23.05 37.64 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.792 1.178 . . . . 0.0 112.816 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.57 79.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 120.313 1.415 . . . . 0.0 109.603 158.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.572 ' SD ' HG12 ' B' ' 78' ' ' VAL . 8.2 mtm -59.89 -36.25 76.57 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 166.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.53 -28.76 5.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 117.624 -1.653 . . . . 0.0 114.052 162.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -82.72 -29.27 29.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.815 2.308 . . . . 0.0 113.755 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -87.49 -28.3 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.589 -1.319 . . . . 0.0 112.794 173.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.86 -38.58 80.91 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.291 153.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 28.8 t70 -56.52 -51.48 68.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 121.512 1.96 . . . . 0.0 111.522 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG12 HD11 ' A' ' 36' ' ' LEU . 54.0 t -45.33 -33.21 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.293 0.952 . . . . 0.0 112.358 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 28' ' ' LEU . 8.8 t80 -86.73 -27.93 23.36 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.432 1.893 . . . . 0.0 114.866 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.79 -27.87 65.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.056 2.542 . . . . 0.0 113.052 160.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.448 HH22 ' CD ' ' B' ' 3' ' ' GLU . 6.7 mtm180 -82.91 -61.81 1.77 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 112.649 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -81.82 -61.98 1.77 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.295 0.638 . . . . 0.0 112.399 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -3.02 3.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.236 1.814 . . . . 0.0 114.247 166.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 4.05 56.22 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.542 1.068 . . . . 0.0 114.848 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.481 1.118 1 C-N-CA 132.64 4.376 . . . . 0.0 107.345 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 10.6 p . . . . . 0 C--O 1.237 0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.2 mp -72.66 71.21 0.98 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.097 0.951 . . . . 0.0 110.2 162.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -50.23 148.03 3.81 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 146.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -38.94 -36.53 0.29 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.652 2.381 . . . . 0.0 113.84 172.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.74 -28.22 51.71 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.758 1.17 . . . . 0.0 115.228 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.2 -42.43 13.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.356 1.462 . . . . 0.0 110.276 172.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 54' ' ' VAL . 8.8 tt -45.28 -40.81 7.98 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 126.84 2.056 . . . . 0.0 112.098 175.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -69.39 -40.4 77.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.1 -11.3 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -170.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 HG12 ' A' ' 14' ' ' VAL 0.275 13.9 tp -74.46 -29.72 61.58 Favored 'General case' 0 CA--C 1.544 0.728 1 C-N-CA 131.811 4.044 . . . . 0.0 112.185 164.764 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -97.75 -20.52 17.52 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 119.589 -1.944 . . . . 0.0 113.362 -158.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.04 -30.78 71.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.44 1.018 . . . . 0.0 110.848 163.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -95.93 -55.06 3.11 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 127.834 2.454 . . . . 0.0 110.522 -164.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.9 -12.44 11.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.587 1.555 . . . . 0.0 111.789 -165.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' HE1' ' A' ' 37' ' ' MET . 6.0 mp -126.57 38.32 0.41 Allowed Pre-proline 0 CA--C 1.562 1.422 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -52.63 138.21 58.58 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 122.175 1.813 . . . . 0.0 112.914 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.09 -31.73 7.38 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.694 1.14 . . . . 0.0 113.996 -172.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.65 -18.51 64.03 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.606 1.703 . . . . 0.0 110.23 165.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -75.24 0.49 16.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.079 2.552 . . . . 0.0 114.49 172.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.93 -17.85 62.36 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.712 0.805 . . . . 0.0 112.499 163.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -103.86 -57.97 1.95 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.766 1.226 . . . . 0.0 110.323 153.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.47 15.38 52.54 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.396 0.0 OUTLIER 89.78 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 129.959 3.303 . . . . 0.0 112.682 -174.1 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.38 -21.68 11.71 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.512 1.925 . . . . 0.0 112.2 168.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? 139.12 -25.82 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.2 5.0 . . . . 0.0 110.888 -165.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.28 -91.34 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.348 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.39 -175.26 5.62 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.902 1.683 . . . . 0.0 113.897 -167.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 33' ' ' LEU . 39.4 t 61.39 -58.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 127.69 2.396 . . . . 0.0 110.085 -158.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -48.63 -54.67 13.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.251 1.42 . . . . 0.0 110.898 156.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.8 3.52 11.7 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.43 -71.01 0.47 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 152.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 59' ' ' LYS . 1.7 tt -36.71 -60.67 0.59 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.415 1.486 . . . . 0.0 112.554 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.31 -24.66 12.34 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.524 2.33 . . . . 0.0 115.526 -175.293 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.37 10.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.818 1.247 . . . . 0.0 110.204 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -75.71 -37.4 59.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.562 1.145 . . . . 0.0 112.68 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -25.95 -38.2 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 132.885 4.474 . . . . 0.0 115.466 164.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.09 52.26 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -10.78 54.44 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.465 1.106 . . . . 0.0 111.739 -177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.17 -69.57 0.01 OUTLIER Glycine 0 C--N 1.341 0.839 0 CA-C-N 120.402 1.455 . . . . 0.0 114.377 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -152.6 -63.42 0.16 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -172.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.25 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 130.343 3.457 . . . . 0.0 107.451 -159.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.27 89.42 0.13 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.992 0.901 . . . . 0.0 109.724 156.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 HD12 ' A' ' 61' ' ' LEU . 4.0 t -65.95 122.54 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.032 3.333 . . . . 0.0 113.31 -174.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.49 -179.65 5.63 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 127.623 2.369 . . . . 0.0 113.644 166.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -67.48 -35.23 78.77 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.329 -1.482 . . . . 0.0 112.645 -166.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -60.1 -55.65 31.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.069 0.947 . . . . 0.0 109.996 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HB2' HG13 ' A' ' 69' ' ' VAL . 12.9 mt-10 -51.07 -51.77 49.95 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.119 1.368 . . . . 0.0 109.721 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.65 -67.76 0.3 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.343 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.444 HG12 HG21 ' B' ' 82' ' ' THR . 9.3 tp -57.46 -36.83 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 120.231 1.378 . . . . 0.0 113.172 -168.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.5 t -59.59 -48.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 0.0 110.721 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -80.25 -20.56 44.23 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.501 HG12 ' SD ' ' B' ' 8' ' ' MET . 50.9 t -56.61 -45.27 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.43 1.014 . . . . 0.0 108.57 168.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -59.11 -17.25 24.73 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 168.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.33 18.12 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.279 -1.513 . . . . 0.0 111.701 166.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -45.4 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 127.161 2.185 . . . . 0.0 111.039 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.8 t -54.18 -42.37 69.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.806 1.185 . . . . 0.0 112.401 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 m -69.95 -31.04 68.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.505 0.722 . . . . 0.0 111.433 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 125.668 1.587 . . . . 0.0 114.32 173.652 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -154.17 -171.83 4.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 131.544 3.938 . . . . 0.0 107.33 -163.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.448 ' CD ' HH22 ' A' ' 17' ' ' ARG . 42.7 tt0 -60.69 -53.92 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.361 2.346 . . . . 0.0 112.012 169.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -55.78 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.513 1.925 . . . . 0.0 111.079 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 68.2 mt-10 -72.26 -30.92 65.32 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.586 -175.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.46 62.75 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.934 1.697 . . . . 0.0 111.964 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.11 81.73 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 109.992 163.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.501 ' SD ' HG12 ' A' ' 78' ' ' VAL . 44.9 mtm -58.61 -35.56 72.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 169.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.16 -32.2 2.42 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.151 -1.361 . . . . 0.0 113.181 164.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 20.6 mtt -85.87 -20.56 28.9 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.575 1.688 . . . . 0.0 114.728 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -99.22 -28.66 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.209 1.368 . . . . 0.0 112.035 173.241 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.32 -38.17 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.358 146.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 18.0 t70 -68.45 -29.15 67.72 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 121.354 1.888 . . . . 0.0 114.776 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.95 -23.17 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 122.672 2.487 . . . . 0.0 110.92 165.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 9.5 t80 -97.78 -9.81 25.92 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 170.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -97.62 -8.06 29.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.095 1.758 . . . . 0.0 112.445 170.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -55.9 -81.0 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.372 3.069 . . . . 0.0 110.366 154.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.39 -59.56 1.86 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.328 0.585 . . . . 0.0 111.971 -162.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 m . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.781 164.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.68 81.01 0.07 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 153.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -60.46 151.54 28.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.074 147.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -47.57 -36.83 11.19 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.793 2.037 . . . . 0.0 113.493 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -21.29 63.78 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.606 1.098 . . . . 0.0 114.847 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -80.45 -49.46 11.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.044 1.337 . . . . 0.0 109.907 171.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.482 HD22 HG13 ' B' ' 54' ' ' VAL . 6.7 tt -43.74 -60.91 1.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.948 2.099 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -41.45 -52.2 3.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -164.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.38 -12.41 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.194 2.198 . . . . 0.0 114.12 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.06 -33.07 33.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.54 1.936 . . . . 0.0 111.174 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mmt -81.88 -27.26 33.56 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.322 0.649 . . . . 0.0 111.599 -166.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.59 -28.19 44.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.863 1.665 . . . . 0.0 112.528 164.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -102.23 -59.24 1.74 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 126.127 1.771 . . . . 0.0 109.801 -166.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -99.17 -18.54 17.61 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -164.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.335 0.0 OUTLIER -140.98 56.12 6.23 Favored Pre-proline 0 CA--C 1.563 1.444 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 164.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -44.72 -13.12 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 126.851 5.034 . . . . 0.0 120.433 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.59 -25.08 68.55 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 121.247 1.84 . . . . 0.0 113.706 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -74.4 -7.89 54.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.256 1.028 . . . . 0.0 113.662 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -5.0 59.28 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.084 1.354 . . . . 0.0 113.13 -172.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.42 -30.77 61.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.164 1.386 . . . . 0.0 111.216 156.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -90.83 -60.76 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.832 2.053 . . . . 0.0 110.482 166.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.49 8.23 2.55 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 163.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 123.15 120.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 1 C-N-CA 133.775 4.83 . . . . 0.0 111.104 174.368 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' B' ' 52' ' ' ASP . 36.7 t70 -144.29 24.02 1.62 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 0.0 111.663 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER 58.95 -30.08 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 O-C-N 119.345 -2.097 . . . . 0.0 115.39 -159.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 50' ' ' ASP . 14.9 m-20 -112.17 -5.46 14.22 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 131.159 3.783 . . . . 0.0 112.953 173.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' B' ' 47' ' ' SER . . . -120.8 165.71 14.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.194 0.998 . . . . 0.0 109.097 160.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.482 HG13 HD22 ' B' ' 33' ' ' LEU . 1.7 t 59.2 -50.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.157 0.983 . . . . 0.0 110.463 -141.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.31 -33.56 42.94 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 127.502 2.321 . . . . 0.0 115.641 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -92.02 -5.47 52.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 121.224 1.829 . . . . 0.0 112.387 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.449 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -92.87 6.77 46.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.845 1.258 . . . . 0.0 109.552 159.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.25 -72.95 0.7 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.08 2.552 . . . . 0.0 108.791 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -41.85 -33.28 0.5 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 130.236 3.414 . . . . 0.0 115.425 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -20.89 59.96 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.009 1.724 . . . . 0.0 114.697 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -122.13 -28.88 4.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.183 2.593 . . . . 0.0 112.397 -176.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.97 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.54 1 C-N-CA 132.683 4.393 . . . . 0.0 114.683 156.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.88 -33.28 0.19 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.07 1.748 . . . . 0.0 113.654 157.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.44 -25.12 61.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.868 2.067 . . . . 0.0 116.035 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.15 34.57 0.08 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.76 1.864 . . . . 0.0 117.76 -165.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 50.55 0.67 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 130.941 3.696 . . . . 0.0 118.573 169.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 68' ' ' GLN . . . 175.98 -11.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 129.509 3.124 . . . . 0.0 112.12 167.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.401 ' H ' ' H ' ' B' ' 67' ' ' ALA . 31.7 mt-30 -112.52 104.85 12.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.449 1.1 . . . . 0.0 109.366 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.508 HG11 HD12 ' B' ' 61' ' ' LEU . 38.0 t -88.03 119.75 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 129.115 2.966 . . . . 0.0 111.604 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.68 171.93 13.49 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.265 1.426 . . . . 0.0 114.124 162.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -54.18 -57.84 9.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.632 2.373 . . . . 0.0 114.092 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -61.0 -24.38 66.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.424 1.889 . . . . 0.0 112.754 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.29 -50.87 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 128.588 2.755 . . . . 0.0 108.956 -169.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' B' ' 78' ' ' VAL . 67.5 t80 -45.5 -55.35 6.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.179 156.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.266 0.4 OUTLIER -58.43 -36.9 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -47.86 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.812 1.642 . . . . 0.0 110.156 169.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.54 ' CG ' HD22 ' B' ' 61' ' ' LEU . 3.8 t80 -75.69 -27.65 58.35 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 ' SD ' ' A' ' 8' ' ' MET . 60.5 t -60.49 -48.24 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.125 -0.985 . . . . 0.0 108.556 170.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -62.09 -5.59 2.35 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 168.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.71 -43.5 9.55 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.677 1.126 . . . . 0.0 111.866 160.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.5 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 128.373 2.669 . . . . 0.0 111.791 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.446 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 6.0 t -50.54 -61.62 2.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.678 0.672 . . . . 0.0 111.452 168.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.408 ' H ' HG23 ' B' ' 82' ' ' THR . 27.7 p -58.67 -29.19 66.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.437 1.495 . . . . 0.0 113.636 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.131 1.372 . . . . 0.0 110.361 173.073 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -159.42 -167.71 2.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.526 3.13 . . . . 0.0 107.341 -164.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.25 -55.94 28.46 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 122.265 2.302 . . . . 0.0 111.374 165.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.32 -47.36 81.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.926 2.091 . . . . 0.0 112.464 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -86.19 -21.78 27.3 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.115 -172.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.45 69.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.362 1.437 . . . . 0.0 109.638 162.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -55.59 23.74 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.568 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.319 1.2 ttt -69.59 -23.53 63.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.901 1.682 . . . . 0.0 114.226 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.83 -47.81 7.66 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 117.732 -1.594 . . . . 0.0 112.877 156.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 44.9 mtt -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.357 2.078 . . . . 0.0 113.809 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -26.82 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.598 1.09 . . . . 0.0 112.494 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.76 -24.52 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 118.067 0.394 . . . . 0.0 111.006 158.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 18.4 t70 -77.99 -43.12 30.54 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 120.398 -1.439 . . . . 0.0 113.287 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -59.9 -27.72 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.937 1.699 . . . . 0.0 111.988 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.0 t80 -69.24 -50.31 48.31 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.279 0.632 . . . . 0.0 110.597 165.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' N ' ' A' ' 21' ' ' SER . 15.4 m -56.96 -23.11 43.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.176 1.79 . . . . 0.0 115.109 174.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.415 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.2 OUTLIER -63.38 -65.07 0.73 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.848 1.659 . . . . 0.0 110.774 161.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -88.78 -46.45 8.97 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 -163.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 -4.41 58.09 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.941 1.246 . . . . 0.0 112.814 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.44 32.0 67.67 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 120.802 -1.186 . . . . 0.0 112.254 -165.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 16' ' ' SER . 7.5 m . . . . . 0 N--CA 1.465 0.301 0 C-N-CA 129.561 3.144 . . . . 0.0 107.882 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 121.027 3.714 . . . . 0.0 121.027 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 15' ' ' PHE . 10.1 mp -66.45 78.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.046 1.739 . . . . 0.0 109.513 157.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 152.99 12.52 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 148.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -43.43 -33.68 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.582 2.353 . . . . 0.0 113.027 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -21.28 56.72 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.938 1.256 . . . . 0.0 115.405 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -87.29 -48.6 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.243 1.521 . . . . 0.0 109.749 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tt -41.59 -45.13 3.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 128.284 2.634 . . . . 0.0 113.159 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -60.76 -34.3 74.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t -74.88 -36.46 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.768 0.827 . . . . 0.0 110.706 -172.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.27 -47.72 78.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.796 2.038 . . . . 0.0 111.611 164.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.523 ' HB3' HD21 ' A' ' 45' ' ' LEU . 1.5 mmm -67.63 -27.51 66.94 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -166.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -62.03 -25.38 67.63 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.949 1.25 . . . . 0.0 112.262 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -105.61 -50.79 3.13 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 126.233 1.813 . . . . 0.0 109.729 -167.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.89 -12.19 14.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 113.344 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.99 29.76 0.18 Allowed Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.533 1.533 . . . . 0.0 114.623 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.48 136.17 74.3 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 122.26 1.843 . . . . 0.0 111.746 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.98 -36.39 4.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.473 -1.182 . . . . 0.0 112.579 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -62.94 -24.44 67.87 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.113 1.957 . . . . 0.0 110.738 162.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -71.44 -0.07 9.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.495 1.518 . . . . 0.0 114.86 173.014 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.53 -16.12 54.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.315 0.962 . . . . 0.0 112.129 158.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -102.79 -59.7 1.66 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.046 1.338 . . . . 0.0 110.609 159.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' HE3' ' A' ' 49' ' ' LYS . . . 75.76 -14.13 6.14 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 117.291 -1.838 . . . . 0.0 116.334 175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HE3' ' C ' ' A' ' 48' ' ' GLY 0.348 0.0 OUTLIER 146.46 97.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 1 C-N-CA 132.49 4.316 . . . . 0.0 112.164 171.878 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 52' ' ' ASP . 62.9 m-20 -115.12 23.94 12.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.385 1.074 . . . . 0.0 111.346 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.272 3.0 tmtt? 59.91 -12.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.179 1.792 . . . . 0.0 114.258 -163.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 50' ' ' ASP . 74.9 m-20 -114.76 14.52 17.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.3 1.84 . . . . 0.0 113.388 169.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.67 172.48 13.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.973 1.309 . . . . 0.0 109.579 152.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t 58.51 -55.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.507 -157.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -50.85 -47.32 60.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.259 1.823 . . . . 0.0 112.11 164.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -77.56 -30.91 52.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.05 -3.35 3.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.959 1.704 . . . . 0.0 111.351 169.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -111.53 -55.67 2.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.092 2.957 . . . . 0.0 110.387 167.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HE2' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -58.24 -27.68 64.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 116.846 -1.549 . . . . 0.0 114.642 -172.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -75.52 -11.65 60.07 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.346 1.029 . . . . 0.0 113.026 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD22 ' CG ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -133.81 -31.4 1.17 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.935 1.294 . . . . 0.0 114.207 -171.198 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -19.08 -43.61 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 129.382 3.073 . . . . 0.0 114.685 151.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -22.5 8.29 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -18.73 32.75 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.346 1.458 . . . . 0.0 111.641 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.24 -73.53 0.03 OUTLIER Glycine 0 CA--C 1.527 0.838 0 CA-C-N 120.164 1.347 . . . . 0.0 114.373 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -151.11 -61.04 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -169.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.05 -54.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 130.584 3.554 . . . . 0.0 107.362 -154.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -62.79 93.28 0.05 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.82 157.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.8 124.35 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.267 2.227 . . . . 0.0 113.21 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.14 179.42 5.07 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 128.418 2.687 . . . . 0.0 112.975 167.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -72.25 -32.23 66.49 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.349 -1.469 . . . . 0.0 113.302 -162.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 t -56.93 -55.43 34.66 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.648 0.779 . . . . 0.0 109.927 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.61 -50.34 70.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 109.893 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.72 -56.46 19.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.736 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.472 HG12 HG21 ' B' ' 82' ' ' THR . 5.8 tp -62.93 -33.56 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.063 1.301 . . . . 0.0 112.804 -173.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.24 -51.46 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.124 0.97 . . . . 0.0 111.035 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.622 ' CG ' HD22 ' A' ' 61' ' ' LEU . 33.7 t80 -57.9 -43.57 86.22 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.936 0.789 . . . . 0.0 112.705 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.14 -48.64 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.679 1.992 . . . . 0.0 110.743 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.56 36.26 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.52 -41.74 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.719 1.145 . . . . 0.0 111.888 160.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 77' ' ' PHE . 18.2 mm -50.7 -45.61 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.495 1.918 . . . . 0.0 112.528 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HG12 ' B' ' 75' ' ' ILE . 9.9 t -54.4 -11.36 0.51 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 171.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -106.96 -44.58 4.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.287 1.435 . . . . 0.0 110.853 166.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 126.83 2.052 . . . . 0.0 114.79 -178.071 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -148.72 -172.02 4.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 131.237 3.815 . . . . 0.0 106.672 -174.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.415 ' CD ' HH22 ' A' ' 17' ' ' ARG . 32.3 tt0 -60.36 -53.68 54.75 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 123.367 2.803 . . . . 0.0 110.114 167.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -46.76 84.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.193 0.597 . . . . 0.0 111.579 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -74.31 -33.45 63.19 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.748 -1.12 . . . . 0.0 112.239 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.28 -23.64 54.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.826 1.648 . . . . 0.0 112.188 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.27 91.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.211 0.914 . . . . 0.0 111.053 165.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.497 ' HA ' HD12 ' B' ' 11' ' ' ILE . 69.1 mtm -65.92 -28.24 68.78 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 0.0 113.372 163.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.73 39.31 Favored Glycine 0 C--O 1.217 -0.908 0 CA-C-O 117.765 -1.575 . . . . 0.0 111.613 160.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -65.23 -32.11 73.61 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.061 1.931 . . . . 0.0 112.779 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 8' ' ' MET . 42.6 mt -71.62 -49.79 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.298 -0.876 . . . . 0.0 110.833 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.87 -33.22 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.593 1.557 . . . . 0.0 110.53 170.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.78 -38.78 73.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.865 1.266 . . . . 0.0 112.808 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -61.14 -32.8 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.945 1.248 . . . . 0.0 111.199 168.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 35.1 t80 -65.18 -50.16 67.02 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.163 -0.961 . . . . 0.0 111.029 163.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -66.52 -2.06 4.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.945 2.098 . . . . 0.0 116.264 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -54.72 11.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.631 1.972 . . . . 0.0 109.569 160.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.15 -68.96 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.454 1.502 . . . . 0.0 110.761 -165.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.496 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 43.9 m . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 119.668 3.21 . . . . 0.0 119.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.94 77.23 0.22 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 160.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -60.45 153.76 22.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 149.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -51.53 -27.31 10.39 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.219 1.808 . . . . 0.0 113.129 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.09 -24.89 53.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.779 1.181 . . . . 0.0 115.088 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.64 -45.88 12.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.073 1.436 . . . . 0.0 109.932 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' C ' ' B' ' 33' ' ' LEU . 6.3 tt -54.72 -33.38 61.0 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.15 1.78 . . . . 0.0 114.409 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -59.63 -48.57 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.51 -1.369 . . . . 0.0 113.614 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.23 -11.04 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.457 1.903 . . . . 0.0 112.269 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.39 -40.17 62.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 111.594 162.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mmm -67.77 -48.02 67.57 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.532 1.06 . . . . 0.0 112.434 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.84 7.19 0.13 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.486 2.714 . . . . 0.0 114.213 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -147.18 -56.83 0.25 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 129.363 3.065 . . . . 0.0 108.938 -158.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.18 -13.33 15.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.0 39.41 0.48 Allowed Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -35.59 131.85 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.829 3.02 . . . . 0.0 116.287 162.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -32.4 7.41 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.562 1.553 . . . . 0.0 113.732 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.52 -17.42 62.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.83 1.315 . . . . 0.0 111.593 161.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -68.14 -3.76 11.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.497 1.919 . . . . 0.0 113.942 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -53.59 -26.67 22.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.442 1.097 . . . . 0.0 112.844 163.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -105.81 -32.91 8.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.991 1.316 . . . . 0.0 112.615 169.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.77 0.69 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.429 1.966 . . . . 0.0 116.103 167.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.72 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.222 1.809 . . . . 0.0 113.059 168.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 p30 41.41 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 131.632 3.973 . . . . 0.0 119.205 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER 71.89 -7.01 1.35 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.962 2.505 . . . . 0.0 114.282 -174.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 -12.32 8.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.954 1.702 . . . . 0.0 114.808 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' B' ' 47' ' ' SER . . . -104.77 -46.26 4.36 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.561 1.528 . . . . 0.0 113.218 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.11 -31.25 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 161.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.51 -22.57 62.62 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.092 1.757 . . . . 0.0 114.412 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.88 -34.3 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.558 1.527 . . . . 0.0 110.662 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.426 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.6 mm? -65.44 -9.25 23.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.124 0.57 . . . . 0.0 112.233 158.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -85.96 -73.79 0.44 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.985 1.314 . . . . 0.0 109.796 159.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -47.49 -35.35 8.61 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.423 3.489 . . . . 0.0 115.454 -168.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.43 -53.57 55.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.375 0.67 . . . . 0.0 111.786 171.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.641 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -83.98 -46.47 12.03 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.904 1.681 . . . . 0.0 112.059 -174.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -29.02 -37.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 131.583 3.953 . . . . 0.0 114.936 168.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.97 -24.8 7.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.575 1.55 . . . . 0.0 115.101 171.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -6.24 58.45 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.654 1.982 . . . . 0.0 111.473 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.23 -72.13 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 CA-C-N 120.074 1.306 . . . . 0.0 114.832 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.34 -60.82 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.415 1.086 . . . . 0.0 111.786 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 149.53 -46.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 130.531 3.532 . . . . 0.0 109.298 -158.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -63.5 89.79 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.391 0.677 . . . . 0.0 110.497 157.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.414 HG11 HD12 ' B' ' 61' ' ' LEU . 2.3 t -73.03 114.96 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.816 1.646 . . . . 0.0 113.187 -171.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.69 167.85 18.98 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.909 2.483 . . . . 0.0 113.649 166.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -62.77 -33.99 76.31 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.909 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -61.9 -46.05 91.08 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.734 1.152 . . . . 0.0 111.232 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.74 -52.31 66.22 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.133 1.373 . . . . 0.0 109.929 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.24 -60.2 3.97 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.388 0.675 . . . . 0.0 112.256 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.625 HG12 HG21 ' A' ' 82' ' ' THR . 9.5 tp -57.3 -40.23 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.596 1.089 . . . . 0.0 112.837 -175.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.13 -47.52 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.44 0.696 . . . . 0.0 111.081 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.13 -14.94 54.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.446 HG12 ' SD ' ' A' ' 8' ' ' MET . 67.9 t -62.2 -34.22 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 120.139 1.336 . . . . 0.0 109.424 162.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 0.3 7.55 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 166.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 -47.5 5.84 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.535 1.061 . . . . 0.0 110.315 158.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -31.16 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.451 1.9 . . . . 0.0 111.183 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.472 HG21 HG12 ' A' ' 75' ' ' ILE . 6.5 t -55.23 -24.53 28.01 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.594 1.558 . . . . 0.0 114.118 172.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 81.1 p -89.45 -43.37 10.9 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.521 1.528 . . . . 0.0 110.816 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.572 0 O-C-N 121.271 -0.893 . . . . 0.0 112.858 173.318 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.498 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 24.9 ttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.3 p -149.67 -175.28 4.96 Favored 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.525 4.33 . . . . 0.0 106.746 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.53 -29.18 58.45 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 123.323 2.783 . . . . 0.0 111.861 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -99.45 -42.37 6.98 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 126.45 1.9 . . . . 0.0 109.992 -166.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.3 mt-10 -67.7 -17.82 64.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.356 162.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 -31.95 25.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.681 1.582 . . . . 0.0 112.328 167.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.94 88.65 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.118 1.326 . . . . 0.0 110.779 163.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.524 ' SD ' HG12 ' B' ' 78' ' ' VAL . 74.7 mtm -64.47 -35.2 80.17 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 165.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.54 -36.06 17.18 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 117.598 -1.668 . . . . 0.0 112.69 164.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.8 mtt -73.16 -18.67 61.25 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.106 1.953 . . . . 0.0 113.406 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.321 0.2 OUTLIER -111.03 -21.31 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.724 1.147 . . . . 0.0 113.493 -176.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -63.09 -36.86 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 110.271 145.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.75 -51.01 68.81 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 116.802 -1.571 . . . . 0.0 109.841 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.31 -50.23 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 120.936 1.698 . . . . 0.0 111.481 171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.41 -43.63 83.89 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.651 1.114 . . . . 0.0 113.866 170.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 m -67.03 -14.5 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.767 2.027 . . . . 0.0 113.518 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mtm-85 -89.85 -43.31 10.71 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.952 1.701 . . . . 0.0 110.957 169.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.62 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -98.32 -23.28 15.69 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -168.394 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 p -82.71 -22.7 34.38 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.67 0.388 . . . . 0.0 111.652 148.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.61 -5.96 48.97 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.205 1.383 . . . . 0.0 115.655 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.481 1.1 1 C-N-CA 132.042 4.137 . . . . 0.0 106.784 -164.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.26 125.09 47.25 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.002 1.273 . . . . 0.0 111.566 162.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -70.68 158.28 36.51 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.303 1.049 . . . . 0.0 111.609 156.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -50.84 -33.05 22.15 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.065 2.546 . . . . 0.0 114.079 -175.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -93.62 -20.05 32.99 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.494 1.045 . . . . 0.0 115.256 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -74.7 -42.95 57.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.083 1.353 . . . . 0.0 109.309 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.79 -50.42 60.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.522 2.329 . . . . 0.0 113.649 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -29.94 70.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -164.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -61.34 -27.49 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.224 0.92 . . . . 0.0 112.605 -173.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 18' ' ' TYR . 15.3 tp -72.0 -39.33 69.31 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.561 1.945 . . . . 0.0 112.435 174.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtt -79.62 -16.02 56.58 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.886 -0.509 . . . . 0.0 112.114 -157.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -59.54 -32.23 70.14 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.324 1.049 . . . . 0.0 112.154 161.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -100.0 -54.85 2.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.71 2.004 . . . . 0.0 109.922 -167.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 36' ' ' LEU . 32.0 mm-40 -102.87 -19.37 14.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.466 1.106 . . . . 0.0 113.57 -168.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -134.17 45.53 1.57 Allowed Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.45 153.65 40.12 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 121.408 1.539 . . . . 0.0 112.133 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 -34.38 4.99 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.518 1.056 . . . . 0.0 112.963 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -74.14 -7.25 51.94 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.967 1.383 . . . . 0.0 112.095 164.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -0.94 57.64 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.683 2.393 . . . . 0.0 114.327 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -68.09 -15.73 63.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.93 0.787 . . . . 0.0 112.004 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -94.32 -55.79 3.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.732 1.613 . . . . 0.0 110.66 156.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.21 -23.11 0.2 Allowed Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.328 1.918 . . . . 0.0 116.029 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -159.43 -44.06 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.545 2.738 . . . . 0.0 110.925 157.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 51' ' ' LYS 0.259 0.6 OUTLIER 19.23 -72.31 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.144 3.778 . . . . 0.0 115.339 -163.596 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -161.0 -18.29 0.05 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 131.185 3.794 . . . . 0.0 110.478 158.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' H ' ' H ' ' A' ' 51' ' ' LYS . 48.9 m-20 -109.42 -147.76 0.42 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 128.435 2.694 . . . . 0.0 110.311 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 41.39 -71.31 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 131.021 3.728 . . . . 0.0 117.24 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.3 -35.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.135 1.374 . . . . 0.0 110.899 163.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 28.0 t70 -67.13 -25.35 66.14 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 125.871 1.668 . . . . 0.0 114.253 169.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -94.77 -38.42 10.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.735 1.152 . . . . 0.0 110.836 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.29 -6.86 0.47 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.001 1.32 . . . . 0.0 113.524 157.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -99.23 -79.37 0.48 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.465 1.906 . . . . 0.0 109.443 159.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -39.88 14.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.406 2.282 . . . . 0.0 115.973 -170.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.333 0.969 . . . . 0.0 110.663 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.43 -43.43 8.75 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.319 1.847 . . . . 0.0 112.172 178.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -6.79 1.91 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.237 1.415 . . . . 0.0 113.274 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.59 -25.35 2.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.56 1.144 . . . . 0.0 113.479 159.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -80.01 -16.51 54.99 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.871 1.268 . . . . 0.0 113.723 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.21 -97.18 0.73 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.967 1.746 . . . . 0.0 112.332 -170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.8 -84.55 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.492 1.117 . . . . 0.0 110.329 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.8 25.91 1.42 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.019 1.727 . . . . 0.0 112.59 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -138.93 102.0 4.44 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.237 1.015 . . . . 0.0 112.293 168.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -65.14 109.47 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 128.555 2.742 . . . . 0.0 115.769 -166.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.24 164.93 24.7 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.202 1.401 . . . . 0.0 113.643 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -61.38 -33.57 73.88 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.719 -1.238 . . . . 0.0 113.694 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -60.4 -46.68 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.057 1.343 . . . . 0.0 110.099 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.1 mt-10 -67.47 -49.17 64.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 127.556 2.343 . . . . 0.0 108.493 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.17 -60.79 2.89 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 117.963 -1.017 . . . . 0.0 112.122 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.405 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -57.99 -41.79 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 120.054 1.297 . . . . 0.0 112.452 -173.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.44 -50.85 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.877 0.871 . . . . 0.0 111.259 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -80.68 -16.61 53.51 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' B' ' 8' ' ' MET . 48.6 t -56.32 -37.87 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 120.869 1.668 . . . . 0.0 109.675 163.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -9.77 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 169.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.79 -44.97 11.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 110.743 161.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.23 -44.55 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.956 2.103 . . . . 0.0 111.155 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t -51.59 -50.75 59.55 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.917 0.781 . . . . 0.0 111.271 170.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 p -68.85 -16.24 63.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.538 0 O-C-N 121.238 -0.914 . . . . 0.0 110.546 165.608 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.449 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -140.21 -110.15 0.15 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.466 1.106 . . . . 0.0 112.673 -160.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -123.39 -49.89 1.9 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.72 2.008 . . . . 0.0 107.508 157.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.85 -58.43 4.38 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.444 1.097 . . . . 0.0 111.312 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 88.6 mt-10 -72.35 -31.37 65.57 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.181 -0.949 . . . . 0.0 112.021 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.85 -34.59 51.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.117 0.871 . . . . 0.0 112.83 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.42 79.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.619 160.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 78' ' ' VAL 0.255 1.3 ttt -66.92 -25.3 66.3 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 170.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.48 -30.18 33.23 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.913 1.245 . . . . 0.0 113.673 160.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 13' ' ' ASP . 33.1 mtt -82.96 -13.38 56.11 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.698 1.999 . . . . 0.0 114.244 175.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.289 0.0 OUTLIER -106.15 -23.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 120.24 1.382 . . . . 0.0 113.009 169.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.52 -29.34 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 118.821 0.737 . . . . 0.0 109.624 150.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' B' ' 10' ' ' MET . 2.1 t70 -64.57 -22.09 66.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 173.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.73 -37.09 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.804 1.184 . . . . 0.0 110.55 167.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -80.09 -1.65 40.97 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.478 1.111 . . . . 0.0 113.027 168.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -101.32 -7.94 22.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.19 1.396 . . . . 0.0 112.818 165.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -71.59 0.44 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.968 1.707 . . . . 0.0 111.181 175.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -83.28 -85.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.31 0.504 . . . . 0.0 110.686 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 125.038 1.335 . . . . 0.0 113.163 -178.034 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.8 mp -83.13 106.21 14.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.647 1.112 . . . . 0.0 108.713 158.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -78.0 153.95 31.93 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.338 -0.851 . . . . 0.0 110.614 157.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -51.41 -38.14 52.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.276 1.83 . . . . 0.0 113.127 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.47 -17.19 80.13 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.481 -1.177 . . . . 0.0 114.681 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -97.36 -44.18 6.99 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.094 1.447 . . . . 0.0 110.028 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -39.79 -52.87 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 128.858 2.863 . . . . 0.0 112.704 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -49.26 -41.39 37.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -69.69 -28.18 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.484 1.114 . . . . 0.0 111.804 -171.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -70.54 -43.81 68.78 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.199 2.199 . . . . 0.0 110.827 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 32.1 mmt -61.79 -36.3 80.67 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.933 0.893 . . . . 0.0 112.569 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.47 -33.95 46.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.97 1.308 . . . . 0.0 112.819 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.82 -43.29 6.81 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.069 1.748 . . . . 0.0 109.802 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -110.04 -17.16 13.65 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.131 0.973 . . . . 0.0 113.542 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -135.18 41.5 0.64 Allowed Pre-proline 0 CA--C 1.575 1.909 0 C-N-CA 127.32 2.248 . . . . 0.0 114.723 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -46.65 -17.93 0.44 Allowed 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 124.498 3.465 . . . . 0.0 119.506 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.99 -16.16 80.87 Favored Glycine 0 N--CA 1.471 0.97 0 O-C-N 120.392 -1.443 . . . . 0.0 114.978 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -98.76 -8.21 26.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -6.8 56.78 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.553 1.941 . . . . 0.0 113.486 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -66.77 -23.25 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.251 168.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 0.6 OUTLIER -88.84 -49.77 6.62 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.455 1.502 . . . . 0.0 111.292 158.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.69 -47.75 3.34 Favored Glycine 0 N--CA 1.469 0.889 0 CA-C-O 118.241 -1.311 . . . . 0.0 115.022 170.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER 146.29 101.06 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 1 C-N-CA 132.848 4.459 . . . . 0.0 112.687 166.317 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.68 68.61 1.5 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 157.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER 46.57 5.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.827 2.851 . . . . 0.0 116.467 -168.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 30.8 p-10 -83.42 -80.0 0.19 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.929 2.492 . . . . 0.0 110.589 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -100.42 -176.78 3.31 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.336 1.454 . . . . 0.0 110.248 171.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t 60.26 -55.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.639 1.576 . . . . 0.0 110.599 -151.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -49.71 -44.98 48.61 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.525 1.93 . . . . 0.0 112.093 163.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -10.97 54.46 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.997 1.272 . . . . 0.0 114.19 175.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.62 3.25 25.91 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.339 -0.851 . . . . 0.0 110.665 161.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.51 -70.13 0.82 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.043 2.137 . . . . 0.0 109.578 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -38.11 3.77 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 129.106 2.963 . . . . 0.0 115.181 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -41.66 96.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.332 1.453 . . . . 0.0 112.906 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -98.2 -39.88 8.65 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.999 2.12 . . . . 0.0 112.881 -174.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.12 -34.66 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 1 C-N-CA 131.869 4.067 . . . . 0.0 113.843 163.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.78 -28.82 1.66 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.275 1.83 . . . . 0.0 115.423 170.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -82.71 -20.1 36.72 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.49 1.041 . . . . 0.0 112.571 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.39 -86.01 0.58 Allowed Glycine 0 C--N 1.342 0.872 0 C-N-CA 124.127 0.87 . . . . 0.0 112.734 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -161.73 -41.44 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.834 1.654 . . . . 0.0 112.035 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 169.32 -39.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 131.115 3.766 . . . . 0.0 110.156 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.73 93.42 3.11 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.534 1.159 . . . . 0.0 110.399 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.08 108.43 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 128.052 2.541 . . . . 0.0 112.548 -171.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.01 165.29 11.22 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.833 0.853 . . . . 0.0 112.6 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -56.43 -32.53 64.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 112.41 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -63.7 -52.53 60.15 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.079 1.352 . . . . 0.0 110.089 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.53 -46.27 89.17 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.891 1.676 . . . . 0.0 109.33 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.16 -62.9 1.36 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.086 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 75' ' ' ILE . 6.8 tp -59.73 -39.07 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 119.715 1.143 . . . . 0.0 113.007 -174.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.01 -47.94 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.45 1.1 . . . . 0.0 111.637 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -89.89 -14.84 33.39 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' SD ' ' A' ' 8' ' ' MET . 56.1 t -55.23 -46.19 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 120.016 1.28 . . . . 0.0 108.941 160.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.53 30.39 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.87 16.47 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.855 1.207 . . . . 0.0 111.995 166.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -47.69 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 127.332 2.253 . . . . 0.0 110.503 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.405 HG21 HG12 ' A' ' 75' ' ' ILE . 4.1 t -51.31 -54.22 28.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.538 170.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -53.63 -47.99 69.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.177 0.899 . . . . 0.0 111.38 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.7 p -146.79 -165.45 2.24 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.039 2.936 . . . . 0.0 109.471 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -54.33 -59.71 4.31 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.753 2.07 . . . . 0.0 110.145 165.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' B' ' 11' ' ' ILE . 8.4 tt -42.79 -67.48 0.27 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 128.026 2.531 . . . . 0.0 111.121 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 56.3 mt-10 -74.51 -32.72 62.59 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.44 -166.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.11 -38.95 51.17 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 119.82 1.191 . . . . 0.0 111.451 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.21 80.55 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 117.722 -1.132 . . . . 0.0 110.329 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.335 1.3 ttt -75.52 -2.04 27.1 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.42 62.26 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 118.008 -1.44 . . . . 0.0 112.219 154.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.4 mtp -62.03 -37.42 84.85 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.418 2.109 . . . . 0.0 113.547 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -80.9 -16.52 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.845 -1.159 . . . . 0.0 112.863 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.32 -36.45 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.803 1.183 . . . . 0.0 110.191 155.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.44 -36.83 66.96 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 119.675 1.125 . . . . 0.0 111.432 173.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -34.15 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 121.254 1.843 . . . . 0.0 113.296 172.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.44 -39.07 85.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.557 0.743 . . . . 0.0 110.45 170.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -26.54 68.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.816 1.647 . . . . 0.0 114.316 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . 16.3 mmt85 -75.19 -56.71 4.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.271 1.396 . . . . 0.0 110.563 169.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 98.6 m-85 -107.87 -19.11 13.63 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -161.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 p -82.32 -24.74 34.46 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.449 1.477 . . . . 0.0 109.484 148.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.23 62.99 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 120.637 -1.289 . . . . 0.0 114.885 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.483 1.224 1 C-N-CA 132.085 4.154 . . . . 0.0 108.248 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.677 -1.154 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.67 106.54 18.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.536 1.534 . . . . 0.0 109.589 161.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -71.1 160.39 32.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.664 0.665 . . . . 0.0 110.858 160.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -49.85 -39.74 40.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.401 1.48 . . . . 0.0 112.276 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.48 81.1 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.191 1.377 . . . . 0.0 115.626 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -102.94 -50.35 3.54 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.959 2.504 . . . . 0.0 108.725 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tt -42.64 -40.89 2.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.966 2.907 . . . . 0.0 113.151 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -59.25 -36.19 75.06 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.83 -32.33 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.453 1.101 . . . . 0.0 111.498 -169.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.35 -34.03 77.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.698 3.199 . . . . 0.0 112.397 170.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 mmt -79.85 -32.6 40.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 113.037 -161.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.83 -23.42 65.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.21 1.004 . . . . 0.0 112.596 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -107.5 -55.16 2.38 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.461 1.904 . . . . 0.0 109.906 -164.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -109.58 -8.29 15.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.665 1.186 . . . . 0.0 113.337 -168.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.36 32.29 0.22 Allowed Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 168.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -46.96 117.55 2.24 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.57 2.18 . . . . 0.0 113.611 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.5 -39.77 1.73 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.203 1.382 . . . . 0.0 113.244 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.88 -19.15 65.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.332 1.566 . . . . 0.0 111.629 161.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -8.77 9.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.956 2.503 . . . . 0.0 113.855 168.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.38 -20.06 65.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.376 0.989 . . . . 0.0 112.464 162.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -111.73 -47.05 3.18 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.385 1.074 . . . . 0.0 110.311 167.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.53 -31.37 0.22 Allowed Glycine 0 N--CA 1.473 1.141 0 C-N-CA 126.594 2.045 . . . . 0.0 117.858 161.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 -74.54 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.004 2.122 . . . . 0.0 109.438 167.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.87 -76.78 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.329 1.852 . . . . 0.0 111.584 -165.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.57 -26.65 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 1 C-N-CA 134.408 5.083 . . . . 0.0 109.56 172.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -103.26 1.44 32.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.204 2.602 . . . . 0.0 113.752 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.47 165.61 12.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.288 1.404 . . . . 0.0 110.406 162.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t 60.41 -49.75 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.619 1.168 . . . . 0.0 110.138 -149.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.83 -40.12 20.33 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.216 3.006 . . . . 0.0 115.065 163.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -93.86 -9.21 38.05 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.003 1.274 . . . . 0.0 112.896 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.41 4.78 26.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.75 0.82 . . . . 0.0 110.602 160.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.06 -68.37 0.92 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.958 2.903 . . . . 0.0 108.674 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -31.39 10.26 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.637 2.775 . . . . 0.0 115.287 -176.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.29 -43.56 94.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.241 1.016 . . . . 0.0 112.037 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.9 -43.28 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.824 1.649 . . . . 0.0 112.402 -174.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -24.34 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.763 4.425 . . . . 0.0 115.787 167.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.16 6.37 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.12 -8.66 57.7 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.169 1.788 . . . . 0.0 111.832 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.39 -70.75 0.01 OUTLIER Glycine 0 C--N 1.343 0.945 0 CA-C-N 120.626 1.557 . . . . 0.0 114.672 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -155.64 -63.07 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 148.2 -51.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.801 3.241 . . . . 0.0 108.419 -156.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.28 93.2 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 154.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.29 106.61 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.835 2.454 . . . . 0.0 112.099 -166.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 165.88 4.98 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.782 2.033 . . . . 0.0 113.327 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -60.66 -33.37 72.71 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.505 1.122 . . . . 0.0 112.475 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.2 p -65.28 -54.83 23.36 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.849 0.86 . . . . 0.0 110.551 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.98 -50.76 45.8 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.436 1.494 . . . . 0.0 110.264 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 78' ' ' VAL . 40.4 t80 -57.26 -64.01 1.03 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.984 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.429 HG12 HG21 ' B' ' 82' ' ' THR . 8.6 tp -59.51 -34.53 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.208 1.367 . . . . 0.0 113.419 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -49.59 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.754 0.822 . . . . 0.0 111.316 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -82.78 -16.67 46.96 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CE2' ' A' ' 74' ' ' PHE . 37.4 t -56.91 -48.75 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.49 1.041 . . . . 0.0 109.481 161.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.98 -12.11 4.19 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -40.08 13.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.166 1.348 . . . . 0.0 111.999 163.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.59 -41.27 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 127.657 2.383 . . . . 0.0 112.556 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.4 t -60.69 -7.67 2.41 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.8 p -113.22 -29.73 7.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.785 1.634 . . . . 0.0 112.082 167.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -168.413 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 29.9 p -78.75 -173.62 3.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.336 3.455 . . . . 0.0 112.803 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.28 -49.33 64.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.987 1.721 . . . . 0.0 110.088 170.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -87.51 -26.1 23.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -172.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 2' ' ' THR . 96.7 mt-10 -71.38 -26.32 62.74 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.608 163.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.62 60.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.846 1.657 . . . . 0.0 111.828 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.4 81.64 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.729 0.695 . . . . 0.0 110.079 163.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.437 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -64.71 -32.07 73.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 168.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.05 -53.94 5.38 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-O 117.825 -1.542 . . . . 0.0 110.347 159.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 70.2 mtp -56.74 -44.42 81.66 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.773 1.787 . . . . 0.0 113.778 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LEU 0.304 0.0 OUTLIER -79.38 -22.19 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 121.015 1.734 . . . . 0.0 115.376 178.351 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.05 -27.82 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.253 0.933 . . . . 0.0 110.18 160.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -85.23 -32.59 22.53 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.936 1.294 . . . . 0.0 113.56 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 34.4 m -62.16 -24.56 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 121.282 1.855 . . . . 0.0 111.715 163.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -78.82 -38.3 38.52 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.446 -0.784 . . . . 0.0 111.432 166.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -72.94 0.63 10.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.864 1.666 . . . . 0.0 114.905 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -59.92 2.54 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.552 1.941 . . . . 0.0 108.963 158.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -100.84 -20.85 15.32 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -162.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.473 0.694 0 O-C-N 121.169 -0.957 . . . . 0.0 112.228 154.505 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.482 0.658 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mp -86.56 104.39 15.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.422 1.489 . . . . 0.0 108.662 153.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -72.08 153.78 41.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 155.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -46.68 -37.72 8.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.02 2.128 . . . . 0.0 113.199 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.28 -21.77 69.41 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.859 -0.967 . . . . 0.0 114.962 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -84.59 -53.16 5.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.849 1.26 . . . . 0.0 109.106 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.0 tt -37.6 -45.4 0.76 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 128.357 2.663 . . . . 0.0 113.141 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -53.63 -40.48 65.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.829 1.195 . . . . 0.0 114.12 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 t -72.02 -29.98 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.997 0.817 . . . . 0.0 111.563 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.21 -38.06 89.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.407 2.283 . . . . 0.0 112.237 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 18.5 mmt -66.04 -37.19 85.23 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.066 0.848 . . . . 0.0 112.032 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -52.99 -30.05 32.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.476 1.11 . . . . 0.0 113.019 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -97.97 -46.09 6.03 Favored 'General case' 0 C--O 1.227 -0.124 0 C-N-CA 126.583 1.953 . . . . 0.0 110.305 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -120.67 -9.36 9.37 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -163.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.31 58.97 23.71 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 119.455 1.025 . . . . 0.0 111.918 155.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 165.15 2.03 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.076 2.517 . . . . 0.0 111.526 163.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.95 -47.9 1.95 Allowed Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.796 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.42 -26.11 62.92 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.73 2.265 . . . . 0.0 111.264 167.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -2.81 0.16 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.149 2.179 . . . . 0.0 114.008 167.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -53.44 -29.16 33.97 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.116 1.326 . . . . 0.0 112.667 159.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -91.73 -38.72 12.23 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.526 1.131 . . . . 0.0 112.629 166.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.51 -80.35 0.31 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.148 1.356 . . . . 0.0 111.619 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.97 119.34 4.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.912 1.285 . . . . 0.0 110.358 158.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -143.04 10.35 1.74 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.88 2.472 . . . . 0.0 111.445 -172.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.379 0.0 OUTLIER 53.87 7.0 0.1 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.15 3.38 . . . . 0.0 116.478 -162.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.77 -16.54 14.64 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.09 1.356 . . . . 0.0 111.535 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.01 -177.14 4.25 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.086 2.555 . . . . 0.0 109.981 152.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 56.9 -58.77 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 126.964 2.106 . . . . 0.0 112.239 -156.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.32 -33.94 63.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.34 1.456 . . . . 0.0 112.371 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.69 -14.09 25.16 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -1.62 28.08 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.071 0.948 . . . . 0.0 110.088 162.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -113.74 -63.04 1.5 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.82 2.848 . . . . 0.0 110.045 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -50.23 -29.75 10.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.383 1.873 . . . . 0.0 114.827 -172.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.77 -10.58 59.96 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.308 1.443 . . . . 0.0 114.23 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.641 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -134.78 -29.83 1.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.976 2.111 . . . . 0.0 113.088 -173.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS 0.255 2.5 t0 -42.62 -14.06 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 1 C-N-CA 132.292 4.237 . . . . 0.0 115.048 156.96 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.15 -28.27 0.28 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.219 1.407 . . . . 0.0 113.398 155.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.04 -47.22 87.39 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.82 2.448 . . . . 0.0 115.45 166.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.51 40.4 0.16 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -151.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p30 58.61 -30.52 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 131.519 3.928 . . . . 0.0 119.722 162.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.68 4.29 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.776 2.831 . . . . 0.0 113.887 168.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -128.35 99.6 5.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.557 1.543 . . . . 0.0 110.231 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.564 HG11 HD12 ' B' ' 61' ' ' LEU . 17.2 t -81.19 121.83 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.046 2.538 . . . . 0.0 112.102 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -73.63 164.81 26.15 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 120.422 1.465 . . . . 0.0 113.744 165.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -56.15 -43.23 78.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.374 1.869 . . . . 0.0 114.015 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -55.12 -31.52 61.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 112.3 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.18 -40.24 9.69 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -160.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -50.42 -48.14 56.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.252 153.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.307 1.4 tp -64.25 -32.44 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 120.666 1.575 . . . . 0.0 113.798 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.01 -46.49 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 120.213 1.369 . . . . 0.0 111.385 168.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' PHE . . . . . 0.641 ' CG ' HD22 ' B' ' 61' ' ' LEU . 49.0 t80 -58.85 -47.48 84.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.562 0.619 . . . . 0.0 111.89 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.42 -31.58 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.155 0.582 . . . . 0.0 111.103 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.15 -2.59 31.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.11 -45.86 8.85 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.213 0.915 . . . . 0.0 110.734 153.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 mm -54.87 -38.27 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.142 1.777 . . . . 0.0 113.354 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.429 HG21 HG12 ' A' ' 75' ' ' ILE . 13.3 t -38.82 -31.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.002 1.721 . . . . 0.0 114.127 164.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 72.1 p -103.62 -47.69 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.962 2.105 . . . . 0.0 113.088 167.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -170.187 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -170.02 0.24 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.466 1.907 . . . . 0.0 113.199 162.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.96 -57.72 10.5 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.416 1.462 . . . . 0.0 113.109 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD13 HG13 ' B' ' 78' ' ' VAL . 4.3 pp -57.96 -47.83 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.401 1.096 . . . . 0.0 110.499 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.53 -29.41 70.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.353 -0.842 . . . . 0.0 113.199 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -41.62 41.56 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.462 2.305 . . . . 0.0 112.246 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.523 ' HB3' HG23 ' B' ' 11' ' ' ILE . . . -55.28 -50.83 68.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.706 0.684 . . . . 0.0 111.194 169.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.529 ' HG3' HG21 ' B' ' 11' ' ' ILE . 15.3 mtm -59.66 -38.39 81.34 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 170.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.42 -46.71 11.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 118.25 -1.306 . . . . 0.0 113.407 165.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mtt -76.27 -19.93 57.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.243 1.522 . . . . 0.0 114.132 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.556 ' CG2' HG21 ' A' ' 78' ' ' VAL . 45.4 mt -80.81 -45.15 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 119.99 1.268 . . . . 0.0 110.076 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.34 -39.89 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.312 1.445 . . . . 0.0 109.916 162.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.22 -55.82 27.77 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.93 -1.509 . . . . 0.0 111.695 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -45.61 -52.89 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 120.594 1.543 . . . . 0.0 110.332 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.25 -42.68 73.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 m -71.45 -6.11 37.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.634 1.974 . . . . 0.0 114.35 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -91.27 -41.04 11.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.39 1.476 . . . . 0.0 111.075 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -97.31 -45.95 6.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.776 0.83 . . . . 0.0 113.219 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 p -66.15 -20.57 66.18 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.432 -1.417 . . . . 0.0 110.609 155.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.23 -12.4 4.25 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.615 2.055 . . . . 0.0 116.529 160.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m 131.26 -66.03 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.75 1 C-N-CA 132.333 4.253 . . . . 0.0 106.922 -163.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -140.99 149.9 42.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.266 2.226 . . . . 0.0 108.666 164.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.81 20.31 0.68 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 123.985 0.802 . . . . 0.0 113.369 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.62 -20.86 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.023 1.729 . . . . 0.0 113.758 -157.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t 95.2 172.95 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.981 2.113 . . . . 0.0 108.161 -112.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.292 5.1 pt20 -88.52 65.21 7.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.36 -1.462 . . . . 0.0 112.576 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -143.13 159.48 42.21 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 126.205 1.802 . . . . 0.0 110.624 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.26 109.42 13.58 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 152.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -65.58 156.82 31.53 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.707 149.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -43.35 -40.1 3.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.168 2.187 . . . . 0.0 112.923 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.67 -18.64 78.8 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 118.327 -1.263 . . . . 0.0 114.976 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -86.48 -55.59 3.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.154 1.477 . . . . 0.0 109.245 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -35.74 -39.81 0.16 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.438 2.695 . . . . 0.0 114.246 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -58.52 -37.97 76.75 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.722 1.147 . . . . 0.0 111.526 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.68 -42.17 98.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 130.75 3.62 . . . . 0.0 111.917 165.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.1 mmm -62.57 -47.61 83.08 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 66.6 mt-10 -59.71 -16.5 27.54 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.168 1.387 . . . . 0.0 112.984 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -108.25 -57.85 2.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 127.711 2.404 . . . . 0.0 108.638 -170.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.0 -9.29 16.27 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -129.52 42.6 0.92 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 125.878 1.671 . . . . 0.0 114.688 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -39.94 144.48 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.878 2.386 . . . . 0.0 114.851 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.35 -37.22 3.3 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.766 1.174 . . . . 0.0 113.627 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -70.6 -6.82 39.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.529 1.164 . . . . 0.0 112.03 165.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' GLU . 33.7 mt -80.45 9.95 5.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.958 2.903 . . . . 0.0 114.041 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -53.09 -32.39 46.95 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.525 1.057 . . . . 0.0 112.915 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -95.79 -27.57 15.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.628 1.171 . . . . 0.0 113.824 163.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -31.24 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.234 1.397 . . . . 0.0 114.978 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 -57.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.03 2.132 . . . . 0.0 113.779 162.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -7.13 44.69 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.27 4.628 . . . . 0.0 120.013 -159.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 17.61 1.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.792 1.637 . . . . 0.0 113.521 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -116.7 -39.35 3.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 113.098 -169.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.64 -31.81 3.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.718 1.607 . . . . 0.0 112.773 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.452 HG13 HD22 ' A' ' 33' ' ' LEU . 1.5 t -53.03 -34.68 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.308 0.504 . . . . 0.0 110.093 154.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.84 -26.43 68.33 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 126.154 1.782 . . . . 0.0 114.504 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -93.93 -32.82 13.72 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.202 1.365 . . . . 0.0 111.67 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' O ' HD21 ' A' ' 61' ' ' LEU . 1.7 mm? -68.08 -5.7 19.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.98 0.912 . . . . 0.0 111.462 162.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tp -93.52 -73.34 0.57 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.3 1.84 . . . . 0.0 109.895 160.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -45.56 -34.93 3.61 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.293 3.037 . . . . 0.0 115.774 -169.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 2.0 m-20 -56.29 -52.55 64.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.633 1.173 . . . . 0.0 112.525 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.589 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -88.35 -43.98 11.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.68 1.992 . . . . 0.0 112.498 -174.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -29.25 -33.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 132.183 4.193 . . . . 0.0 115.566 167.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.89 -27.77 8.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.971 1.709 . . . . 0.0 115.029 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -6.87 58.57 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.516 1.926 . . . . 0.0 111.714 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.26 -92.5 0.27 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.07 1.319 . . . . 0.0 112.237 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -159.64 -38.78 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 153.9 -8.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 131.629 3.972 . . . . 0.0 112.598 -165.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -103.64 94.0 5.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.676 1.591 . . . . 0.0 108.078 159.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.9 104.97 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 128.128 2.571 . . . . 0.0 111.496 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.7 165.65 6.27 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.112 1.765 . . . . 0.0 112.896 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -58.37 -32.96 69.06 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.033 0.933 . . . . 0.0 111.911 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -60.81 -55.14 36.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.329 1.452 . . . . 0.0 110.075 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.82 -48.83 77.1 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.868 1.267 . . . . 0.0 109.7 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.1 t80 -58.62 -60.2 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.754 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 8' ' ' MET . 10.7 tp -58.46 -41.26 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.132 1.333 . . . . 0.0 112.085 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.3 t -57.59 -49.24 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.506 1.122 . . . . 0.0 110.273 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 11.1 m-85 -80.98 -12.03 59.45 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.556 HG21 ' CG2' ' A' ' 11' ' ' ILE . 59.1 t -64.74 -35.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 121.865 2.121 . . . . 0.0 110.189 164.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.99 -2.0 22.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 165.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.55 -36.81 10.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.555 -1.341 . . . . 0.0 111.835 163.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.87 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 129.275 3.03 . . . . 0.0 110.865 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t -46.15 -54.18 9.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.191 0.997 . . . . 0.0 112.571 164.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.464 ' HA ' ' CD2' ' A' ' 86' ' ' HIS . 23.9 p -72.97 -7.55 51.65 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.809 1.644 . . . . 0.0 114.436 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.58 -57.32 2.92 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.901 1.28 . . . . 0.0 109.017 168.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -55.9 -38.59 70.41 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.848 0.859 . . . . 0.0 112.62 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -67.52 -9.82 45.9 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -34.85 78.68 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.492 1.496 . . . . 0.0 111.638 170.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -178.54 109.84 0.05 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 129.26 3.024 . . . . 0.0 107.423 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -96.25 -87.14 0.3 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -27.4 14.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.84 1.656 . . . . 0.0 111.219 159.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 -32.94 1.07 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.447 1.899 . . . . 0.0 115.085 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p 128.71 71.51 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 1 C-N-CA 132.044 4.138 . . . . 0.0 105.973 -157.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -22.78 -63.33 0.03 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 127.649 2.547 . . . . 0.0 117.11 -159.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.08 -3.53 13.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.589 1.556 . . . . 0.0 113.941 174.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 127.187 2.195 . . . . 0.0 110.589 -163.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 35.0 ttm . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -152.36 -170.02 3.52 Favored 'General case' 0 CA--C 1.547 0.834 1 C-N-CA 131.859 4.064 . . . . 0.0 105.908 -174.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.05 -49.59 67.12 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 122.935 2.607 . . . . 0.0 111.373 165.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 78' ' ' VAL . 6.2 tp -53.33 -42.44 66.75 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.157 1.383 . . . . 0.0 111.893 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 83.3 mt-10 -88.52 -7.91 55.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -41.17 35.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 120.788 1.631 . . . . 0.0 109.241 163.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.37 67.37 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.837 161.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.475 ' HA ' ' CD1' ' B' ' 11' ' ' ILE 0.345 0.0 OUTLIER -56.88 -37.24 71.09 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.374 1.443 . . . . 0.0 112.922 171.483 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.61 -52.26 5.44 Favored Glycine 0 C--O 1.218 -0.892 0 C-N-CA 126.107 1.813 . . . . 0.0 111.889 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . 0.441 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.56 -33.9 47.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.614 1.707 . . . . 0.0 114.557 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.544 ' CG1' HD11 ' B' ' 75' ' ' ILE 0.282 0.0 OUTLIER -67.24 -38.01 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.052 1.751 . . . . 0.0 112.948 171.386 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.1 mm -69.75 -31.18 47.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-O 117.189 -1.386 . . . . 0.0 109.77 165.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.412 ' HA ' ' HB3' ' B' ' 16' ' ' SER 0.266 25.1 t70 -57.17 -45.4 83.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.973 1.715 . . . . 0.0 111.319 -171.23 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.588 HG13 HD11 ' B' ' 36' ' ' LEU . 90.2 t -45.05 -38.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 119.836 1.198 . . . . 0.0 112.831 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -80.5 -32.36 36.99 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.185 2.194 . . . . 0.0 113.83 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -69.02 -9.1 50.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.419 2.688 . . . . 0.0 114.0 163.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 7.5 mtm180 -94.27 -62.18 1.38 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.283 1.433 . . . . 0.0 111.129 169.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.483 ' CD1' HD13 ' B' ' 36' ' ' LEU . 1.5 m-85 -73.76 -72.89 0.24 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -171.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.0 p -63.59 19.98 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.47 1.908 . . . . 0.0 113.435 163.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.96 14.16 2.24 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 127.867 2.651 . . . . 0.0 117.718 -149.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.5 m -167.48 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.138 2.175 . . . . 0.0 106.679 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -148.55 160.52 43.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 129.731 3.212 . . . . 0.0 107.241 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.4 3.82 0.1 Allowed Glycine 0 CA--C 1.542 1.749 0 C-N-CA 126.678 2.085 . . . . 0.0 114.209 166.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.9 t -163.79 -15.29 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.138 1.375 . . . . 0.0 113.475 -151.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . 0.304 5.8 t 83.18 -163.4 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 120.652 -1.28 . . . . 0.0 109.809 -102.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.266 6.0 pt20 -111.97 61.51 0.62 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 121.145 1.793 . . . . 0.0 112.086 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -131.66 156.62 45.53 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 127.211 2.205 . . . . 0.0 109.456 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -69.19 103.3 1.89 Allowed 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 154.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -68.25 146.8 53.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 122.002 0.906 . . . . 0.0 109.159 149.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -41.31 -41.25 1.88 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.604 2.362 . . . . 0.0 113.95 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -22.99 77.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.546 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.43 -51.24 6.67 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.74 1.616 . . . . 0.0 109.921 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG13 ' B' ' 54' ' ' VAL . 3.3 tt -40.28 -49.17 2.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.999 2.12 . . . . 0.0 112.483 175.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -55.69 -18.71 8.65 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -165.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.77 -12.6 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.386 1.474 . . . . 0.0 111.515 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.588 HD11 HG13 ' B' ' 14' ' ' VAL . 27.1 tp -76.52 -43.96 37.07 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 127.09 2.156 . . . . 0.0 111.657 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 6.2 mmm -67.02 -28.97 68.67 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.592 0.757 . . . . 0.0 111.713 -170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -56.74 -23.42 42.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.933 1.693 . . . . 0.0 112.972 169.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -108.42 -41.78 4.76 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 126.242 1.817 . . . . 0.0 110.116 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -120.3 -5.33 9.91 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -171.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.76 44.14 1.28 Allowed Pre-proline 0 CA--C 1.566 1.572 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 163.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -40.14 -21.38 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 1 C-N-CA 126.469 4.78 . . . . 0.0 119.338 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.83 -20.29 56.14 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 120.159 1.345 . . . . 0.0 114.659 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.18 -30.71 69.88 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.316 1.558 . . . . 0.0 111.408 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -0.94 2.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.813 1.645 . . . . 0.0 113.857 -171.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -53.88 -26.99 27.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.182 1.793 . . . . 0.0 113.029 157.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -90.72 -66.22 0.95 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.651 0.781 . . . . 0.0 109.907 161.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.99 -43.41 1.69 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 115.199 0.84 . . . . 0.0 115.199 166.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -75.01 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.824 0.85 . . . . 0.0 111.876 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' B' ' 52' ' ' ASP . 8.3 m-20 65.88 0.34 1.53 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.193 2.197 . . . . 0.0 116.116 164.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER 42.59 -0.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.53 3.532 . . . . 0.0 117.081 -161.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' B' ' 50' ' ' ASP . 0.8 OUTLIER -124.98 -1.07 7.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 128.792 2.837 . . . . 0.0 112.833 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.34 -43.56 2.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.138 0.975 . . . . 0.0 111.835 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.527 HG13 HD22 ' B' ' 33' ' ' LEU . 0.9 OUTLIER -51.61 -34.24 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.675 0.39 . . . . 0.0 110.547 157.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.38 -20.19 65.52 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 127.976 2.51 . . . . 0.0 114.788 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -35.54 10.36 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.773 1.17 . . . . 0.0 109.45 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.435 ' O ' HD21 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.2 -0.37 1.2 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.341 1.857 . . . . 0.0 112.726 156.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 tp -104.84 -67.27 0.92 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.316 2.246 . . . . 0.0 108.586 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 9.8 mmtm -45.49 -28.25 0.88 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.357 2.663 . . . . 0.0 115.551 -175.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.33 -20.23 63.87 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 172.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.643 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -128.76 -29.81 2.33 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.551 2.34 . . . . 0.0 112.709 -172.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.7 OUTLIER -43.84 -14.72 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 131.997 4.119 . . . . 0.0 115.044 156.257 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.38 -31.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.04 1.736 . . . . 0.0 113.289 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.42 -42.73 95.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.457 2.303 . . . . 0.0 116.109 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.66 29.96 0.18 Allowed Glycine 0 CA--C 1.536 1.344 0 N-CA-C 116.555 1.382 . . . . 0.0 116.555 -154.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 t0 52.73 -5.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 131.287 3.835 . . . . 0.0 119.176 166.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -177.35 -4.27 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.531 2.732 . . . . 0.0 112.9 161.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -115.15 96.85 5.88 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 123.139 1.447 . . . . 0.0 108.717 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 HD12 ' B' ' 61' ' ' LEU . 27.2 t -78.68 115.47 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 128.34 2.656 . . . . 0.0 109.765 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.2 169.73 17.66 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.235 1.379 . . . . 0.0 113.044 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -53.29 56.53 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.894 1.678 . . . . 0.0 111.645 -177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 73' ' ' GLU . 8.8 p -65.18 3.28 0.64 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.286 2.234 . . . . 0.0 114.403 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 72' ' ' SER . 9.6 mm-40 -120.27 -50.99 2.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.331 2.252 . . . . 0.0 108.771 -170.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -46.57 -47.73 19.72 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.362 0.665 . . . . 0.0 110.282 157.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.544 HD11 ' CG1' ' B' ' 11' ' ' ILE . 2.8 tp -63.66 -34.04 65.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.89 -48.8 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.17 0.895 . . . . 0.0 109.711 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.643 ' CG ' HD22 ' B' ' 61' ' ' LEU . 74.7 t80 -63.28 -41.98 99.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.215 1.006 . . . . 0.0 111.779 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.496 HG13 HD13 ' A' ' 4' ' ' LEU . 76.5 t -53.35 -47.95 57.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.745 1.218 . . . . 0.0 109.875 170.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.51 2.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.62 -41.02 9.95 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.865 1.211 . . . . 0.0 111.005 153.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -58.45 -22.89 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.817 1.647 . . . . 0.0 112.495 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 14.8 t -50.58 -31.57 16.19 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.006 -1.684 . . . . 0.0 113.888 163.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -83.04 -1.56 53.02 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.258 1.023 . . . . 0.0 112.712 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.3 -29.54 10.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.583 1.953 . . . . 0.0 111.944 167.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.2 t -41.48 -47.07 3.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.539 2.335 . . . . 0.0 113.669 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -19.49 -80.38 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 129.251 3.02 . . . . 0.0 115.33 -164.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . 0.267 35.4 tttt 68.72 -36.98 0.34 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 115.411 -2.233 . . . . 0.0 114.982 -162.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.63 -27.41 0.31 Allowed 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 121.365 3.839 . . . . 0.0 121.365 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -153.46 -119.63 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 122.75 2.523 . . . . 0.0 113.084 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.43 -42.36 91.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.029 1.732 . . . . 0.0 110.134 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.563 ' CG ' ' H ' ' B' ' 92' ' ' THR 0.295 0.0 OUTLIER -124.83 -101.21 0.39 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.84 3.256 . . . . 0.0 103.275 164.321 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.563 ' H ' ' CG ' ' B' ' 91' ' ' LYS . 0.1 OUTLIER -128.14 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 128.104 2.561 . . . . 0.0 106.527 164.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.15 -12.02 48.12 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.83 0.728 . . . . 0.0 114.591 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp -110.19 9.13 23.92 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.036 1.734 . . . . 0.0 113.303 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.494 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 C-N-CA 130.885 3.674 . . . . 0.0 115.371 -168.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttm . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 p -153.76 -177.59 6.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 130.058 3.343 . . . . 0.0 106.28 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -56.7 -54.28 48.02 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.334 1.425 . . . . 0.0 111.238 171.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 HG22 ' B' ' 11' ' ' ILE . 4.5 tp -52.2 -50.95 60.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.437 2.295 . . . . 0.0 111.415 174.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.92 -26.23 40.24 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.369 1.067 . . . . 0.0 113.794 -171.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -57.69 11.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.125 0.875 . . . . 0.0 109.783 167.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.84 62.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.978 0.911 . . . . 0.0 111.661 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.507 ' SD ' HG12 ' B' ' 78' ' ' VAL . 77.7 mtm -65.13 -30.35 71.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 173.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -22.32 31.54 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-O 118.461 -1.188 . . . . 0.0 113.392 164.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.8 mtp -85.93 -24.93 26.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.719 1.759 . . . . 0.0 113.712 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -93.21 -25.98 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 120.793 -1.192 . . . . 0.0 112.77 171.231 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mt -67.87 -30.18 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 116.721 -1.609 . . . . 0.0 111.059 155.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.76 -54.66 44.42 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.384 2.356 . . . . 0.0 110.197 165.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.27 -38.44 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 119.385 0.993 . . . . 0.0 112.519 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.98 -43.31 68.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.742 1.156 . . . . 0.0 114.046 168.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -61.37 -10.66 7.74 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.314 2.245 . . . . 0.0 113.499 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH22 ' CD ' ' B' ' 3' ' ' GLU . 21.2 ttt180 -112.18 -34.66 5.86 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 131.146 3.778 . . . . 0.0 111.592 -173.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 28.4 m-85 -109.62 -10.66 14.83 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -103.07 2.37 34.68 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.11 1.323 . . . . 0.0 111.689 148.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.38 26.9 62.42 Favored Glycine 0 CA--C 1.538 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 112.228 -166.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t 69.54 -50.55 0.62 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.008 2.523 . . . . 0.0 111.744 -163.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -141.74 153.58 44.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.53 1.132 . . . . 0.0 111.837 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.79 3.67 0.03 OUTLIER Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.892 1.117 . . . . 0.0 115.892 -173.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -149.15 -0.18 0.5 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.058 2.143 . . . . 0.0 110.998 -161.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 26' ' ' GLN . 1.1 m 81.65 -161.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.985 1.714 . . . . 0.0 108.13 -117.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.453 ' H ' HG22 ' A' ' 25' ' ' THR . 14.7 pt20 -104.4 49.15 0.82 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.274 1.43 . . . . 0.0 111.422 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.2 p -145.49 129.65 17.58 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.86 1.264 . . . . 0.0 112.786 -155.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.16 103.19 0.45 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.638 1.175 . . . . 0.0 110.845 162.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 t -70.43 165.25 22.93 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.984 -1.072 . . . . 0.0 111.524 158.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -55.38 -31.09 61.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.673 1.589 . . . . 0.0 113.309 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 -19.15 55.23 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.969 1.271 . . . . 0.0 115.091 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -85.33 -40.57 16.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.233 2.613 . . . . 0.0 109.293 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.71 -34.2 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 129.068 2.947 . . . . 0.0 115.175 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.75 -41.35 68.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -165.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.75 -11.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.914 1.286 . . . . 0.0 112.113 -174.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 4.3 tp -78.73 -34.39 45.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 129.205 3.002 . . . . 0.0 112.137 165.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.4 mmt -71.6 -53.53 13.42 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.166 0.894 . . . . 0.0 110.926 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -48.35 -35.85 13.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.395 1.478 . . . . 0.0 112.15 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -67.86 0.76 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 129.341 3.056 . . . . 0.0 112.406 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 -4.1 20.94 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -165.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 HD13 ' B' ' 4' ' ' LEU . 5.3 mp -131.83 55.61 19.2 Favored Pre-proline 0 CA--C 1.557 1.245 0 C-N-CA 125.427 1.491 . . . . 0.0 114.321 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -39.43 154.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.334 3.356 . . . . 0.0 115.346 154.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.04 -56.86 4.62 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 124.102 0.858 . . . . 0.0 112.322 -176.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -55.76 -23.51 30.0 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.54 1.136 . . . . 0.0 112.36 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.03 -15.1 20.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.494 2.318 . . . . 0.0 114.8 170.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -60.16 -26.49 66.35 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.947 1.249 . . . . 0.0 112.539 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 m -101.69 -41.22 6.64 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.416 0.686 . . . . 0.0 110.968 162.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.59 -12.28 0.09 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 165.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.31 0.0 OUTLIER 172.12 -118.72 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 133.18 4.592 . . . . 0.0 107.403 170.06 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 55.5 m-20 49.47 33.29 5.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.641 1.977 . . . . 0.0 113.24 170.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER 49.54 -6.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.791 3.636 . . . . 0.0 117.35 -167.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -87.05 -22.54 25.39 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.087 1.312 . . . . 0.0 112.969 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.75 -174.59 4.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.532 1.133 . . . . 0.0 110.408 162.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.2 t 62.34 -61.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 126.618 1.967 . . . . 0.0 110.1 -162.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -55.42 -36.23 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.969 1.708 . . . . 0.0 113.511 165.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -89.75 -19.79 24.33 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.44 1.44 16.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.694 0.797 . . . . 0.0 111.344 164.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -110.26 -65.3 1.17 Allowed 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 129.056 2.943 . . . . 0.0 109.201 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -27.68 24.52 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.972 2.109 . . . . 0.0 115.433 -172.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.33 -32.61 60.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.539 0.609 . . . . 0.0 111.816 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -94.61 -39.2 10.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.678 1.591 . . . . 0.0 112.527 -177.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -28.74 -35.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 132.698 4.399 . . . . 0.0 115.59 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -22.35 13.18 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.482 1.513 . . . . 0.0 114.982 171.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -11.53 53.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.84 1.656 . . . . 0.0 111.809 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.04 -74.33 0.01 OUTLIER Glycine 0 C--N 1.342 0.864 0 CA-C-N 120.685 1.584 . . . . 0.0 114.29 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.04 -62.94 0.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 144.47 -50.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.175 3.39 . . . . 0.0 107.832 -154.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.57 97.26 0.07 Allowed 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.454 -0.779 . . . . 0.0 109.358 153.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.97 101.97 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.683 1.993 . . . . 0.0 111.435 -165.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.47 162.65 4.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.908 1.683 . . . . 0.0 112.804 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.76 -33.68 68.75 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.283 -0.865 . . . . 0.0 113.073 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -63.79 -54.57 33.11 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.909 0.884 . . . . 0.0 110.545 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.62 -50.87 59.41 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.473 1.509 . . . . 0.0 110.214 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -57.81 -65.6 0.61 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.362 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.462 HG12 HG21 ' B' ' 82' ' ' THR . 7.6 tp -58.58 -35.38 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 120.363 1.438 . . . . 0.0 112.98 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.0 -53.79 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.258 1.023 . . . . 0.0 111.086 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -79.94 -15.05 58.08 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 t -55.2 -51.41 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 120.465 1.484 . . . . 0.0 108.42 161.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.94 -15.18 41.3 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.53 -38.4 23.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.218 165.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.89 -47.93 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.055 1.742 . . . . 0.0 111.018 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.424 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 14.1 t -63.34 -22.84 67.12 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 174.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -82.61 -43.09 17.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.898 1.226 . . . . 0.0 111.105 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.15 76.46 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.463 1.505 . . . . 0.0 112.416 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -73.8 0.3 13.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.358 1.463 . . . . 0.0 114.869 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.436 ' CD2' ' H ' ' A' ' 87' ' ' LYS . 1.3 p80 -53.82 -63.7 1.06 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.733 1.606 . . . . 0.0 113.64 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' H ' ' CD2' ' A' ' 86' ' ' HIS . 2.3 mtmp? 50.19 23.34 1.15 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.991 -163.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 49.06 26.92 1.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.85 2.46 . . . . 0.0 116.576 -165.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' C ' ' H ' ' A' ' 91' ' ' LYS . 54.1 p90 -128.3 168.32 15.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.518 -1.364 . . . . 0.0 110.995 162.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 61.88 -35.88 0.11 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.266 1.826 . . . . 0.0 113.596 -162.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HE3' ' O ' ' A' ' 82' ' ' THR . 0.2 OUTLIER -105.35 -20.02 13.62 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.185 2.594 . . . . 0.0 113.193 -174.536 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.265 0.5 OUTLIER -144.73 -54.37 0.32 Allowed 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.308 0.958 . . . . 0.0 113.418 169.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.8 -2.65 8.28 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 117.541 1.777 . . . . 0.0 117.541 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.21 29.74 1.06 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.305 1.442 . . . . 0.0 112.053 162.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 C-N-CA 126.892 2.077 . . . . 0.0 110.598 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 56.2 p -142.95 -102.74 0.13 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 109.792 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' CD ' HH22 ' A' ' 17' ' ' ARG . 19.0 tt0 -131.61 -52.39 1.0 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.722 2.009 . . . . 0.0 107.788 156.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 41' ' ' LEU . 4.2 tt -46.55 -50.26 17.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.081 1.353 . . . . 0.0 111.633 162.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.59 -18.36 58.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.669 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -40.92 61.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.944 1.702 . . . . 0.0 111.154 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.27 94.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.763 1.225 . . . . 0.0 110.744 166.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.7 mtm -63.56 -28.79 70.18 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.94 -21.08 29.33 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 118.389 -1.229 . . . . 0.0 113.112 165.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 37.8 mtt -88.24 -36.95 16.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.64 1.72 . . . . 0.0 112.774 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.479 HG22 HD12 ' A' ' 4' ' ' LEU 0.281 0.0 OUTLIER -77.64 -25.33 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 120.84 -1.162 . . . . 0.0 113.054 170.706 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mm -72.11 -34.26 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.173 160.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.55 -50.05 68.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 121.588 1.995 . . . . 0.0 110.566 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.528 ' CG1' HD21 ' B' ' 36' ' ' LEU . 43.4 t -48.81 -52.27 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.346 0.975 . . . . 0.0 111.803 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.94 -47.81 70.89 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.712 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -64.35 -10.03 21.76 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.955 2.502 . . . . 0.0 114.919 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -93.09 -63.54 1.2 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.015 0.825 . . . . 0.0 109.065 165.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.586 ' CG ' HD22 ' B' ' 36' ' ' LEU 0.261 0.2 OUTLIER -78.52 -13.4 59.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 -166.492 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.67 20.15 6.1 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.544 1.538 . . . . 0.0 111.581 157.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.68 -31.92 10.35 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.837 -0.539 . . . . 0.0 111.946 138.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -51.45 -29.29 15.69 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.174 1.79 . . . . 0.0 114.605 165.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 30.31 -116.65 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.397 1.879 . . . . 0.0 111.607 -160.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.75 -36.45 0.14 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 127.263 2.363 . . . . 0.0 117.015 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.5 t -66.59 -2.52 4.89 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 129.973 3.309 . . . . 0.0 112.501 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m 118.93 -102.83 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 1 C-N-CA 135.289 5.436 . . . . 0.0 101.953 -154.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.75 38.55 2.01 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.392 1.477 . . . . 0.0 111.041 163.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p -122.29 176.31 5.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 128.068 2.547 . . . . 0.0 113.249 -166.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.95 114.49 27.15 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.672 -0.642 . . . . 0.0 110.66 158.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -62.14 147.65 46.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.9 0.857 . . . . 0.0 110.875 143.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -43.08 -34.61 1.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.716 2.806 . . . . 0.0 114.077 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.51 59.27 Favored Glycine 0 CA--C 1.533 1.201 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.212 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -82.52 -48.05 11.47 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.344 1.572 . . . . 0.0 109.635 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -37.67 -49.26 1.11 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.653 2.381 . . . . 0.0 114.097 -177.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' N ' HD23 ' B' ' 33' ' ' LEU . 17.3 pttm -49.77 -42.79 47.42 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -169.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.44 -26.83 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.238 0.926 . . . . 0.0 113.32 -167.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.586 HD22 ' CG ' ' B' ' 18' ' ' TYR . 22.5 tp -75.49 -39.34 58.68 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.738 1.215 . . . . 0.0 111.524 175.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.481 ' SD ' HD12 ' B' ' 57' ' ' LEU . 31.9 mmt -56.44 -31.74 64.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.23 1.012 . . . . 0.0 112.115 -169.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.82 -20.57 36.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.464 2.306 . . . . 0.0 114.187 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -113.84 -46.3 3.03 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.033 1.733 . . . . 0.0 111.074 -163.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -4.04 10.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' N ' ' CD ' ' B' ' 42' ' ' PRO . 21.4 mt -126.48 33.13 0.24 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 127.298 2.239 . . . . 0.0 114.85 167.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 41' ' ' LEU . 47.7 Cg_exo -42.27 -28.53 0.94 Allowed 'Trans proline' 0 C--N 1.366 1.472 1 C-N-CA 125.558 4.172 . . . . 0.0 119.473 -177.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.33 -34.18 84.49 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-N 120.475 1.488 . . . . 0.0 113.294 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' B' ' 81' ' ' ILE . 98.9 m-85 -76.05 -11.65 59.98 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.945 0.872 . . . . 0.0 113.083 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 7.15 1.03 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.804 1.642 . . . . 0.0 113.569 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -45.53 -31.52 1.84 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.384 1.074 . . . . 0.0 113.72 162.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -92.05 -31.79 15.43 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.03 1.732 . . . . 0.0 113.701 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.41 7.81 4.5 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.616 2.055 . . . . 0.0 116.894 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.362 0.0 OUTLIER 110.22 112.75 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.605 4.762 . . . . 0.0 111.501 -179.502 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -141.98 5.66 1.73 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.912 3.285 . . . . 0.0 111.526 -164.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.402 0.0 OUTLIER 46.89 22.91 0.22 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 129.465 3.106 . . . . 0.0 115.076 -161.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.45 -27.93 1.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.103 1.761 . . . . 0.0 115.73 -177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 -40.77 5.68 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 121.691 2.042 . . . . 0.0 111.455 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.83 -29.58 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.513 0.725 . . . . 0.0 110.759 158.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.01 -25.8 56.06 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 126.253 1.821 . . . . 0.0 114.856 172.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -87.92 -39.88 14.4 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.358 1.89 . . . . 0.0 111.38 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' SD ' ' B' ' 37' ' ' MET . 0.1 OUTLIER -55.38 -10.7 0.65 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.334 2.254 . . . . 0.0 111.861 160.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.53 -62.49 1.23 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.093 2.157 . . . . 0.0 111.318 161.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -50.42 -33.0 19.26 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.567 2.347 . . . . 0.0 115.332 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.99 -8.32 48.08 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-N 119.508 1.049 . . . . 0.0 113.761 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -138.49 -34.17 0.64 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.46 1.904 . . . . 0.0 113.08 -170.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.433 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.9 OUTLIER -37.04 -27.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 130.443 3.497 . . . . 0.0 114.145 153.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.82 -24.49 1.45 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.321 2.249 . . . . 0.0 114.644 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -73.16 -21.8 60.63 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 171.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.08 -77.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.846 1.212 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -178.53 -50.44 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.909 1.284 . . . . 0.0 113.229 -156.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 163.53 -1.2 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 130.875 3.67 . . . . 0.0 113.047 -160.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -114.92 101.19 8.79 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.182 1.393 . . . . 0.0 111.471 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 61' ' ' LEU . 30.2 t -78.06 136.66 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.795 2.038 . . . . 0.0 112.453 -172.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -111.19 168.28 9.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.821 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 91' ' ' LYS . 19.6 p90 -58.31 -48.59 80.04 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.411 1.485 . . . . 0.0 111.387 -170.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -66.15 -6.68 14.21 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 127.28 2.232 . . . . 0.0 113.345 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.85 -48.29 3.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.377 1.471 . . . . 0.0 109.757 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' B' ' 61' ' ' LEU . 73.7 t80 -51.54 -48.25 63.1 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.572 169.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 tp -57.68 -31.03 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.76 -47.62 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 110.602 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' B' ' 61' ' ' LEU . 35.1 t80 -59.15 -43.53 92.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.817 0.847 . . . . 0.0 112.001 174.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.507 HG12 ' SD ' ' A' ' 8' ' ' MET . 53.4 t -50.34 -52.07 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.676 1.59 . . . . 0.0 109.96 169.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.67 17.98 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.56 -39.8 15.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.159 1.345 . . . . 0.0 111.587 162.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' B' ' 77' ' ' PHE . 14.4 mm -54.04 -44.78 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.657 1.183 . . . . 0.0 112.441 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.462 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -59.53 -7.67 1.55 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 35.2 m -106.75 -43.5 4.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.233 1.413 . . . . 0.0 111.212 165.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.8 -39.01 57.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.179 1.392 . . . . 0.0 113.111 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 58.5 m -65.98 4.59 0.62 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.033 1.733 . . . . 0.0 115.572 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -19.32 -52.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 130.056 3.342 . . . . 0.0 116.716 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.61 -39.25 0.71 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.036 1.735 . . . . 0.0 113.71 174.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.42 -17.35 29.94 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 -167.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.389 2.4 p90 52.96 -17.39 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.341 3.056 . . . . 0.0 118.277 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -41.9 -25.01 0.05 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.374 1.87 . . . . 0.0 112.79 130.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -94.24 -104.28 0.14 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.075 2.15 . . . . 0.0 109.168 171.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.25 95.02 0.97 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.312 1.045 . . . . 0.0 110.414 173.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.38 -19.79 2.63 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 129.071 3.224 . . . . 0.0 112.445 -169.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 60.7 tp -97.46 -40.88 8.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.507 1.523 . . . . 0.0 109.842 155.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' B' ' 95' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.903 1.681 . . . . 0.0 110.655 165.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.5 p -154.71 -173.86 4.74 Favored 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 133.533 4.733 . . . . 0.0 105.097 -174.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CD ' HH22 ' B' ' 17' ' ' ARG . 28.8 tt0 -69.07 -43.09 75.3 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 124.743 3.429 . . . . 0.0 109.764 170.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' B' ' 11' ' ' ILE . 5.5 tt -46.89 -59.4 3.11 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.734 1.213 . . . . 0.0 111.394 170.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 92.7 mt-10 -76.73 -29.0 56.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.524 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.5 64.52 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.809 1.64 . . . . 0.0 111.046 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.12 93.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.742 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.595 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.264 2.8 mtt -68.96 -28.64 66.81 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.272 1.396 . . . . 0.0 114.568 171.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.43 -47.83 7.02 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-O 117.818 -1.545 . . . . 0.0 111.853 155.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtp -66.12 -30.1 70.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.175 1.987 . . . . 0.0 114.92 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -86.68 -25.04 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 121.315 1.87 . . . . 0.0 113.052 174.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mm -60.34 -35.21 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 118.724 0.693 . . . . 0.0 109.468 153.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 6.2 t0 -77.38 -17.14 58.45 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 120.177 -1.577 . . . . 0.0 113.153 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.1 -22.47 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 O-C-N 119.215 -2.178 . . . . 0.0 111.541 162.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 28' ' ' LEU . 22.3 t80 -80.4 -29.7 37.73 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.525 -1.359 . . . . 0.0 111.391 165.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 46.7 t -62.75 -31.19 72.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.661 1.984 . . . . 0.0 112.894 164.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -63.73 1.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.696 1.134 . . . . 0.0 110.438 166.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.451 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 9.2 m-85 -98.22 -47.01 5.62 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -152.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -5.79 12.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.582 0.753 . . . . 0.0 112.763 158.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.84 4.92 56.08 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.088 1.327 . . . . 0.0 113.532 -172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m 115.57 -69.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.659 1 C-N-CA 132.797 4.439 . . . . 0.0 106.056 -163.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -154.92 157.96 38.55 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 129.817 3.247 . . . . 0.0 106.459 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.95 -29.61 0.66 Allowed Glycine 0 N--CA 1.475 1.271 0 CA-C-N 119.17 0.896 . . . . 0.0 114.642 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -56.81 -0.74 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 129.499 3.12 . . . . 0.0 115.051 165.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m 112.63 -102.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 1 C-N-CA 133.748 4.819 . . . . 0.0 103.395 -142.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -135.01 30.4 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.278 1.431 . . . . 0.0 111.379 170.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -136.41 174.92 10.09 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -148.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 mp -104.59 114.06 28.03 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 128.013 2.525 . . . . 0.0 108.928 155.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -77.65 165.96 23.6 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.99 0.9 . . . . 0.0 111.589 159.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -55.35 -33.51 63.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.262 1.825 . . . . 0.0 113.518 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.43 -8.79 73.7 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.152 1.358 . . . . 0.0 115.123 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -101.0 -37.52 8.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.266 2.226 . . . . 0.0 109.664 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.86 -43.59 73.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.016 2.526 . . . . 0.0 113.177 165.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -45.82 87.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.301 1.41 . . . . 0.0 113.884 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.89 -16.12 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.34 1.456 . . . . 0.0 113.261 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 8.9 tp -77.32 -32.96 55.64 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.511 2.324 . . . . 0.0 112.404 165.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -89.47 -36.81 15.2 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.22 0.918 . . . . 0.0 112.385 -169.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -50.63 -27.36 6.75 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.774 1.63 . . . . 0.0 112.011 166.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -99.2 -61.39 1.37 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 128.962 2.905 . . . . 0.0 111.562 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -113.39 0.54 14.8 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.49 42.73 0.78 Allowed Pre-proline 0 CA--C 1.572 1.817 0 C-N-CA 126.0 1.72 . . . . 0.0 114.961 169.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -41.21 -32.44 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 125.545 4.163 . . . . 0.0 118.753 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -19.67 73.07 Favored Glycine 0 CA--C 1.534 1.268 0 O-C-N 120.958 -1.089 . . . . 0.0 114.358 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -89.14 -12.43 41.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.812 1.245 . . . . 0.0 111.751 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.64 5.59 45.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.863 1.665 . . . . 0.0 112.929 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.8 -18.78 65.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.47 0.708 . . . . 0.0 111.777 160.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -97.81 -80.74 0.44 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.135 1.374 . . . . 0.0 108.192 158.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.83 -15.1 60.01 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 116.969 -2.017 . . . . 0.0 117.588 167.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.46 ' CG ' ' H ' ' A' ' 50' ' ' ASP 0.323 0.0 OUTLIER -153.01 -90.54 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.041 2.421 . . . . 0.0 112.208 173.158 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' H ' ' CG ' ' A' ' 49' ' ' LYS . 3.9 m-20 60.39 3.98 0.63 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.328 2.651 . . . . 0.0 116.313 155.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.347 0.0 OUTLIER 40.12 32.11 0.11 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.353 2.261 . . . . 0.0 113.894 -154.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -134.73 -165.97 1.74 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 129.166 2.986 . . . . 0.0 107.691 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 46.04 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.863 2.465 . . . . 0.0 116.057 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -46.5 -45.35 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.998 1.719 . . . . 0.0 110.69 161.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.8 -22.62 65.17 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.987 1.315 . . . . 0.0 113.783 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.16 -38.78 10.91 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.628 1.103 . . . . 0.0 111.513 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.04 -7.36 2.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.161 1.385 . . . . 0.0 112.628 162.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.71 -78.77 0.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.609 1.963 . . . . 0.0 108.249 156.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -40.55 23.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -168.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.3 -33.67 76.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.354 1.062 . . . . 0.0 112.033 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -98.16 -38.49 9.3 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.185 1.394 . . . . 0.0 112.169 178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -4.95 0.76 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.819 1.248 . . . . 0.0 113.619 172.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.86 -24.77 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.033 -1.042 . . . . 0.0 113.338 159.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -80.28 -16.54 54.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 113.719 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.96 -98.41 0.68 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.924 1.725 . . . . 0.0 112.627 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -157.52 -81.9 0.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.571 1.148 . . . . 0.0 111.426 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.49 25.03 0.98 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.341 1.856 . . . . 0.0 112.723 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -139.36 109.74 6.56 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.048 1.339 . . . . 0.0 109.325 164.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.76 112.91 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.608 1.963 . . . . 0.0 112.873 -166.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.75 166.8 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.638 1.175 . . . . 0.0 113.117 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -60.83 -34.37 74.45 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.811 -1.181 . . . . 0.0 113.626 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -65.32 -52.67 52.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.233 1.013 . . . . 0.0 110.456 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.52 -51.17 60.86 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 129.211 3.004 . . . . 0.0 109.806 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -54.02 -67.4 0.26 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.9 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 tp -58.04 -37.16 59.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 120.595 1.543 . . . . 0.0 113.539 -169.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.16 -51.39 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.27 1.028 . . . . 0.0 110.779 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.2 -17.89 54.0 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.6 t -58.13 -48.09 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 120.288 1.404 . . . . 0.0 108.471 163.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.33 28.78 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 167.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.17 -24.4 24.49 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.679 -1.263 . . . . 0.0 112.893 165.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.15 -42.29 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.235 1.814 . . . . 0.0 110.678 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.491 HG21 HG12 ' B' ' 75' ' ' ILE . 7.5 t -55.07 -42.14 72.39 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.483 -0.761 . . . . 0.0 111.277 163.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -64.78 -22.76 67.05 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.99 -11.12 60.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.682 1.193 . . . . 0.0 112.614 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.7 p -68.86 -40.15 79.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.25 -0.906 . . . . 0.0 111.195 157.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -34.83 10.72 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -158.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 37.1 24.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 129.27 3.028 . . . . 0.0 116.905 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 51.23 60.4 3.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.388 1.875 . . . . 0.0 115.377 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -158.55 128.22 5.79 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.802 -1.811 . . . . 0.0 111.897 163.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 60.34 -61.83 0.07 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.297 2.239 . . . . 0.0 111.78 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -46.51 -25.58 0.71 Allowed 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 129.623 3.169 . . . . 0.0 112.47 163.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.16 -38.48 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 159.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.41 29.21 0.84 Allowed Glycine 0 N--CA 1.48 1.573 0 CA-C-N 120.071 1.305 . . . . 0.0 116.111 -169.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.2 tp -131.07 -11.48 3.71 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 128.531 2.732 . . . . 0.0 111.589 174.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' OXT' ' OG1' ' B' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 125.284 1.433 . . . . 0.0 111.006 -169.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.488 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.272 0.082 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 26.9 p -153.43 -176.21 5.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.759 3.624 . . . . 0.0 107.477 -170.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.19 -47.62 80.8 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 123.572 2.896 . . . . 0.0 109.743 169.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -59.37 5.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.06 1.744 . . . . 0.0 111.774 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 98.4 mt-10 -73.6 -29.98 62.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 118.326 -0.845 . . . . 0.0 113.242 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -39.82 66.42 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.579 1.536 . . . . 0.0 111.285 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.27 90.69 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.582 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -61.41 -32.33 72.28 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 170.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.11 -33.95 11.42 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.929 -1.484 . . . . 0.0 112.959 164.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 43.5 mtt -75.63 -32.85 60.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.946 1.873 . . . . 0.0 113.406 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.479 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.5 -26.23 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 120.141 1.337 . . . . 0.0 113.194 177.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.96 -37.28 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.968 156.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.11 -44.1 93.29 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 120.321 1.419 . . . . 0.0 111.88 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -53.0 -31.32 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 121.302 1.865 . . . . 0.0 112.595 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 71' ' ' PHE . 46.7 t80 -82.08 -33.32 29.89 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.302 1.041 . . . . 0.0 113.646 170.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -83.45 1.19 42.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 128.311 2.645 . . . . 0.0 113.688 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.481 HH22 ' CD ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -70.5 -59.87 2.59 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.136 2.574 . . . . 0.0 108.669 156.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -87.62 -74.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.83 1.652 . . . . 0.0 111.259 -165.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.7 p -57.12 -18.26 14.15 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.263 -0.898 . . . . 0.0 113.116 167.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.48 -26.14 0.02 OUTLIER Glycine 0 C--N 1.342 0.913 0 C-N-CA 129.205 3.288 . . . . 0.0 117.02 163.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -144.37 60.09 1.34 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.683 1.241 . . . . 0.0 111.731 160.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 74.75 172.95 0.27 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.718 2.407 . . . . 0.0 116.754 162.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.48 9.02 0.03 OUTLIER Glycine 0 CA--C 1.534 1.238 0 C-N-CA 126.951 2.215 . . . . 0.0 113.088 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -176.73 -127.6 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.281 1.432 . . . . 0.0 107.217 -155.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.401 ' OG1' ' OXT' ' A' ' 95' ' ' LYS . 9.3 p -116.12 61.01 0.72 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.345 2.258 . . . . 0.0 107.032 148.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.373 1.2 pt20 39.97 82.55 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 130.47 3.508 . . . . 0.0 113.6 -168.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -135.93 171.22 14.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 129.693 3.197 . . . . 0.0 106.622 166.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.19 102.03 10.84 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.087 -1.008 . . . . 0.0 108.578 157.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -66.43 152.81 44.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.176 153.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -49.23 -34.29 14.64 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.892 1.677 . . . . 0.0 113.645 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.11 -25.08 64.82 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 118.964 -0.909 . . . . 0.0 114.552 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -84.67 -40.37 17.49 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.211 1.404 . . . . 0.0 110.193 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.12 -39.03 19.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.242 2.217 . . . . 0.0 113.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -62.55 -48.43 79.52 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -11.25 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.13 1.372 . . . . 0.0 113.796 -169.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.15 -41.58 41.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 129.569 3.148 . . . . 0.0 111.572 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.7 mmt -70.57 -35.51 73.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.045 0.938 . . . . 0.0 112.022 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.35 -33.29 28.83 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.395 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -97.6 -50.0 4.65 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.658 1.983 . . . . 0.0 110.047 -169.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -109.68 -6.81 15.2 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 113.803 -165.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.97 38.65 0.34 Allowed Pre-proline 0 CA--C 1.579 2.058 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -38.51 10.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.565 2 C-N-CA 129.449 6.766 . . . . 0.0 124.575 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.03 -7.68 2.52 Favored Glycine 0 N--CA 1.472 1.097 0 CA-C-N 121.771 2.078 . . . . 0.0 116.265 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CD2' HD21 ' B' ' 57' ' ' LEU . 96.9 m-85 -73.83 -10.84 60.08 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.217 1.509 . . . . 0.0 111.451 156.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.02 -6.99 37.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.797 2.439 . . . . 0.0 113.511 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -61.48 -22.84 65.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.373 1.069 . . . . 0.0 112.267 164.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 6.8 t -104.55 -49.13 3.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.799 1.239 . . . . 0.0 111.019 160.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.26 -18.99 0.26 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 117.55 -1.694 . . . . 0.0 117.257 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -7.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.32 2.248 . . . . 0.0 115.686 169.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.22 47.77 1.47 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.39 1.45 . . . . 0.0 114.91 -151.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 -26.38 0.12 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.41 2.684 . . . . 0.0 114.224 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -82.1 -19.38 40.25 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.63 1.972 . . . . 0.0 113.585 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -144.01 -177.1 5.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.364 1.465 . . . . 0.0 111.03 166.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t 59.35 -61.38 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.1 2.16 . . . . 0.0 110.606 -156.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.96 -29.94 22.61 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.318 1.447 . . . . 0.0 113.05 166.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.01 -13.83 19.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.488 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.4 mm? -81.23 -3.79 53.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.651 0.78 . . . . 0.0 110.555 160.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -96.98 -74.01 0.58 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.52 2.328 . . . . 0.0 108.507 164.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 12.2 mmtm -44.77 -35.33 2.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 128.425 2.69 . . . . 0.0 116.248 -169.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.87 -47.75 79.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.846 1.258 . . . . 0.0 113.101 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.34 -41.21 9.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.762 2.025 . . . . 0.0 112.286 -173.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -37.5 -24.4 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 131.656 3.983 . . . . 0.0 114.857 165.03 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.64 -28.59 2.45 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.023 1.729 . . . . 0.0 114.785 164.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -18.82 41.63 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.405 1.082 . . . . 0.0 112.926 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.54 -96.96 0.81 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.74 1.638 . . . . 0.0 112.62 -171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -165.24 -42.15 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 157.18 -3.46 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 131.44 3.896 . . . . 0.0 113.592 -164.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -111.42 87.41 2.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.905 1.682 . . . . 0.0 108.406 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.62 102.97 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 127.689 2.395 . . . . 0.0 112.238 -169.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.08 165.56 10.95 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 125.202 1.401 . . . . 0.0 112.84 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB3' ' CE2' ' B' ' 15' ' ' PHE . 2.9 p90 -63.29 -27.45 69.34 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.893 -1.129 . . . . 0.0 113.444 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.0 p -60.15 -57.44 12.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.575 1.15 . . . . 0.0 110.777 172.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.66 -51.41 60.3 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.959 2.104 . . . . 0.0 109.847 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -54.62 -62.25 1.78 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.049 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.491 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -60.9 -38.98 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 119.606 1.094 . . . . 0.0 112.524 -172.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 52.3 t -55.66 -49.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.745 1.218 . . . . 0.0 110.8 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -84.5 -15.47 45.8 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.595 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.9 t -57.46 -36.58 53.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 120.58 1.537 . . . . 0.0 109.482 160.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.58 9.73 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 167.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 -41.89 8.55 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.818 156.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.42 -31.33 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.154 1.382 . . . . 0.0 111.403 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -57.39 -22.51 43.28 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.7 p -86.07 -29.27 23.52 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.575 1.079 . . . . 0.0 111.985 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.58 -0.4 17.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 113.137 168.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.7 m -39.51 -34.78 0.24 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.537 2.735 . . . . 0.0 114.391 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -49.71 -88.76 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.833 2.453 . . . . 0.0 113.652 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm 48.01 -85.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.779 2.032 . . . . 0.0 112.183 -157.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.447 ' HA ' ' HB ' ' B' ' 92' ' ' THR . 0.5 OUTLIER -149.68 44.27 0.92 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.087 2.555 . . . . 0.0 111.283 179.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -145.18 159.7 42.59 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 130.587 3.555 . . . . 0.0 104.385 163.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 64.13 -45.45 0.28 Allowed 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.127 1.785 . . . . 0.0 114.156 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -60.21 2.22 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.216 2.206 . . . . 0.0 111.308 159.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.447 ' HB ' ' HA ' ' B' ' 88' ' ' TYR 0.332 0.6 OUTLIER -78.86 -11.26 59.99 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.958 1.708 . . . . 0.0 113.016 175.449 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.61 -14.79 10.06 Favored Glycine 0 CA--C 1.541 1.713 0 CA-C-O 119.24 -0.756 . . . . 0.0 113.786 157.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.01 26.98 4.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.485 1.914 . . . . 0.0 112.382 169.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.518 0.0 OUTLIER . . . . . 0 C--O 1.256 1.407 1 C-N-CA 132.027 4.131 . . . . 0.0 116.907 -169.0 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.0 ttm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -153.21 -170.09 3.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 128.836 2.854 . . . . 0.0 108.382 -165.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -56.19 -54.3 46.8 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 123.541 2.882 . . . . 0.0 109.021 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' CD2' HG13 ' B' ' 78' ' ' VAL . 6.6 tt -51.87 -60.04 3.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.836 2.055 . . . . 0.0 111.259 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.63 -21.89 37.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.873 0.869 . . . . 0.0 112.84 -168.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -49.22 45.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.897 1.68 . . . . 0.0 110.005 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 91.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.729 ' SD ' HG12 ' B' ' 78' ' ' VAL . 3.9 mtt -75.54 -25.29 57.05 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.352 1.433 . . . . 0.0 114.697 169.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.11 -33.02 6.9 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 117.775 -1.57 . . . . 0.0 113.303 156.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.9 mtt -74.77 -17.59 60.61 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.613 2.206 . . . . 0.0 114.363 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -25.43 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.869 1.213 . . . . 0.0 113.363 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.17 -31.97 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 118.972 0.805 . . . . 0.0 109.316 153.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.54 -34.16 76.51 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 120.276 -1.515 . . . . 0.0 112.588 166.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.9 -53.66 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 121.632 2.015 . . . . 0.0 110.236 172.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -46.55 -47.61 19.61 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.229 0.331 . . . . 0.0 111.123 167.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 m -68.49 -16.78 64.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -67.89 -44.97 75.77 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.27 1.85 . . . . 0.0 109.057 162.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.76 -15.18 13.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -153.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.34 6.17 30.28 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.383 0.992 . . . . 0.0 111.456 148.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.65 51.42 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.014 1.292 . . . . 0.0 115.192 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 t 97.36 -71.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.502 3.521 . . . . 0.0 107.875 -158.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.8 149.7 52.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.242 0.928 . . . . 0.0 111.214 165.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.11 -5.73 0.02 OUTLIER Glycine 0 CA--C 1.542 1.724 0 N-CA-C 117.496 1.758 . . . . 0.0 117.496 -163.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -149.21 2.73 0.57 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.301 2.641 . . . . 0.0 112.846 -160.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 24' ' ' SER 0.387 14.5 t 71.4 -154.62 0.1 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.649 1.979 . . . . 0.0 110.134 -110.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -108.18 55.29 0.64 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 121.518 1.963 . . . . 0.0 111.528 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -148.06 135.76 20.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -162.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 97.61 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.522 1.129 . . . . 0.0 110.725 161.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -72.23 165.23 24.84 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.291 -0.881 . . . . 0.0 111.584 162.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -57.78 -28.83 64.34 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.602 1.561 . . . . 0.0 113.765 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.27 -16.92 61.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.729 1.157 . . . . 0.0 115.265 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -93.52 -37.32 11.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.614 2.365 . . . . 0.0 110.209 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.62 HD22 HG13 ' A' ' 54' ' ' VAL . 7.9 tt -55.27 -34.23 63.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 129.644 3.177 . . . . 0.0 114.521 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -74.64 -42.92 57.69 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -168.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.75 -18.01 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 124.835 1.254 . . . . 0.0 111.579 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.27 -28.56 63.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.547 2.739 . . . . 0.0 112.235 167.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.24 -20.41 19.22 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.644 -1.285 . . . . 0.0 113.338 -169.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.58 -7.36 14.45 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.869 1.268 . . . . 0.0 112.849 167.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -138.22 -61.16 0.61 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.779 2.032 . . . . 0.0 109.657 -148.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -11.65 18.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -130.7 42.37 0.89 Allowed Pre-proline 0 CA--C 1.558 1.256 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.66 142.82 48.96 Favored 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 121.512 1.576 . . . . 0.0 112.768 171.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 -34.26 5.88 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.861 1.696 . . . . 0.0 113.908 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.73 -17.2 64.48 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.743 -1.445 . . . . 0.0 111.272 162.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 4.88 3.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.449 2.3 . . . . 0.0 114.036 172.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -51.21 -25.86 6.13 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.237 0.926 . . . . 0.0 113.226 161.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -109.24 -60.99 1.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.85 1.66 . . . . 0.0 109.804 164.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 -10.77 66.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.65 1.595 . . . . 0.0 115.092 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -170.04 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.196 1.498 . . . . 0.0 112.379 -170.62 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.55 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 48.1 m-20 44.52 17.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 133.354 4.661 . . . . 0.0 117.064 176.288 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.322 0.1 OUTLIER 47.95 15.37 0.06 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 128.748 2.819 . . . . 0.0 115.683 -171.573 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -135.41 4.67 3.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.63 1.572 . . . . 0.0 113.759 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.22 -67.1 1.01 Allowed 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.074 1.306 . . . . 0.0 112.233 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG13 HD22 ' A' ' 33' ' ' LEU . 1.4 t -54.48 -35.47 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.336 0.654 . . . . 0.0 110.448 166.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.76 -20.16 65.19 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.461 1.505 . . . . 0.0 114.135 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -97.47 -39.96 8.91 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.089 1.313 . . . . 0.0 111.654 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.65 -3.08 0.43 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.273 1.029 . . . . 0.0 112.921 157.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -98.94 -68.99 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.975 2.11 . . . . 0.0 110.413 158.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.67 12.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.967 2.107 . . . . 0.0 116.292 -171.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.93 -34.29 64.28 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.133 1.333 . . . . 0.0 112.16 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -94.54 -39.57 10.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.644 1.578 . . . . 0.0 111.953 -176.091 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -29.2 -38.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.306 3.843 . . . . 0.0 115.633 167.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.09 -21.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -18.44 28.95 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.711 1.204 . . . . 0.0 112.473 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.12 -71.62 0.02 OUTLIER Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.731 1.605 . . . . 0.0 114.015 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -150.19 -63.36 0.21 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 145.04 -51.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 130.04 3.336 . . . . 0.0 107.767 -154.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.58 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 150.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.32 107.31 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 126.909 2.084 . . . . 0.0 111.856 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.52 163.1 11.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.541 1.536 . . . . 0.0 112.817 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -56.65 -31.84 64.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.792 0.837 . . . . 0.0 112.763 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.7 -51.99 65.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.514 1.526 . . . . 0.0 110.58 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -47.14 87.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.808 1.643 . . . . 0.0 109.659 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.6 -64.82 0.77 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 117.636 -1.173 . . . . 0.0 110.81 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -54.75 -40.35 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.564 1.529 . . . . 0.0 112.982 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.2 -49.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.714 0.806 . . . . 0.0 111.771 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -87.55 -17.9 30.98 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.37 -48.5 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.41 1.459 . . . . 0.0 108.678 159.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.88 -12.17 60.13 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.76 -49.68 17.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.884 1.22 . . . . 0.0 109.986 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mm -47.45 -49.41 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.612 1.965 . . . . 0.0 113.119 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -49.5 -36.37 22.82 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -94.25 -39.35 10.57 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.393 0.542 . . . . 0.0 111.599 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.73 -50.74 69.88 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.189 1.395 . . . . 0.0 113.448 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.4 p -55.18 -51.21 67.25 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.562 1.145 . . . . 0.0 110.27 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -8.64 15.65 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.082 1.353 . . . . 0.0 114.302 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -71.23 -12.26 61.37 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.184 -1.572 . . . . 0.0 113.654 170.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -96.02 -34.71 11.66 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -165.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 64.62 166.85 0.16 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 125.872 1.669 . . . . 0.0 112.717 -154.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 62.13 -58.54 0.12 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.931 1.292 . . . . 0.0 109.671 -140.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HD3' ' H ' ' A' ' 91' ' ' LYS . 5.4 mptt -58.25 -76.7 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.325 2.65 . . . . 0.0 110.248 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -11.64 60.81 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.95 -10.93 15.84 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.724 162.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.5 tp -138.55 4.79 2.4 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.775 2.43 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.518 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -133.13 -99.82 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.839 0.745 . . . . 0.0 111.532 -160.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -143.04 -55.83 0.41 Allowed 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 128.596 2.759 . . . . 0.0 105.793 168.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 tt -44.8 -60.14 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.742 1.617 . . . . 0.0 113.434 155.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.8 -31.98 70.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.317 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.06 73.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.991 1.269 . . . . 0.0 112.277 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.168 1.387 . . . . 0.0 111.054 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -62.22 -27.63 69.12 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.07 1.304 . . . . 0.0 114.081 171.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.08 -11.34 1.42 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 127.136 2.303 . . . . 0.0 113.911 164.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 71.0 mtp -102.49 -10.76 19.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.283 1.833 . . . . 0.0 112.718 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -13.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.946 1.248 . . . . 0.0 113.512 176.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -70.35 -6.07 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 118.658 0.663 . . . . 0.0 111.345 145.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -117.45 -26.74 6.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.894 1.678 . . . . 0.0 113.252 -174.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -26.97 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 119.618 -1.926 . . . . 0.0 110.851 147.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.19 -12.35 59.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.286 165.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.252 6.7 p -72.53 -91.16 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 115.22 -2.324 . . . . 0.0 107.397 165.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.29 -82.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 128.685 2.794 . . . . 0.0 112.811 162.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.404 ' HB3' ' H ' ' B' ' 19' ' ' SER 0.264 0.4 OUTLIER -40.38 -88.23 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.145 1 C-N-CA 137.719 6.407 . . . . 0.0 115.407 161.021 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.404 ' H ' ' HB3' ' B' ' 18' ' ' TYR . 10.5 p -75.73 -0.84 22.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.78 10.21 0.01 OUTLIER Glycine 0 N--CA 1.481 1.661 1 C-N-CA 133.525 5.345 . . . . 0.0 119.785 -154.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 m -151.48 -60.24 0.17 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 152.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -142.46 124.08 14.98 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.017 1.727 . . . . 0.0 111.072 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.82 35.74 3.95 Favored Glycine 0 CA--C 1.545 1.931 0 C-N-CA 128.02 2.724 . . . . 0.0 113.353 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 126.53 -16.11 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 1 C-N-CA 134.521 5.128 . . . . 0.0 110.641 -154.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.9 t 117.17 172.16 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 1 C-N-CA 134.328 5.051 . . . . 0.0 105.471 -146.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.363 2.2 pt20 -74.83 77.72 2.11 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 122.846 2.566 . . . . 0.0 113.066 -174.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -163.86 167.65 20.48 Favored 'General case' 0 CA--C 1.542 0.667 1 C-N-CA 135.868 5.667 . . . . 0.0 105.599 -173.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 119.26 36.15 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.881 1.673 . . . . 0.0 111.322 167.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -66.49 155.88 36.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.242 151.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -46.67 -38.39 9.71 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.912 2.085 . . . . 0.0 112.572 169.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.58 89.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.267 1.413 . . . . 0.0 113.799 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -83.96 -44.61 14.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.055 1.428 . . . . 0.0 110.375 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -44.74 -43.04 8.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.699 1.6 . . . . 0.0 112.239 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -50.41 -39.45 47.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.33 -40.04 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 120.013 1.279 . . . . 0.0 112.83 -159.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 tp -71.94 -35.55 69.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.52 0.728 . . . . 0.0 111.503 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt -56.36 -39.65 73.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.911 0.884 . . . . 0.0 112.254 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -56.96 -19.44 18.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.253 1.821 . . . . 0.0 114.111 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -114.22 -52.9 2.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.727 2.011 . . . . 0.0 109.159 -168.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.63 0.88 19.26 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.86 34.88 0.28 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 164.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.22 -20.05 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 124.736 3.624 . . . . 0.0 119.669 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.22 -49.47 52.46 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 120.195 1.361 . . . . 0.0 112.049 169.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.39 -30.93 70.86 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.369 -1.077 . . . . 0.0 111.851 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.33 -6.3 0.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -11.07 56.73 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.227 1.376 . . . . 0.0 112.143 162.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.38 -17.38 25.93 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 127.356 2.262 . . . . 0.0 112.439 164.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.53 -87.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.063 0 C-N-CA 128.043 2.735 . . . . 0.0 114.767 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.57 -68.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.716 2.406 . . . . 0.0 111.083 172.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.04 -43.24 0.16 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.157 2.583 . . . . 0.0 116.004 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER 139.24 -14.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 137.433 6.293 . . . . 0.0 112.429 175.57 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.91 -20.1 14.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.88 1.672 . . . . 0.0 113.609 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.23 169.81 9.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.017 0.826 . . . . 0.0 109.352 156.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.65 -46.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.306 1.842 . . . . 0.0 110.56 -159.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -44.98 -57.83 3.56 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 126.398 1.879 . . . . 0.0 112.325 154.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -0.77 19.24 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.58 -63.41 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 117.947 -1.025 . . . . 0.0 108.93 150.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -38.89 -65.12 0.39 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.153 1.381 . . . . 0.0 111.605 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -23.08 21.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.322 2.649 . . . . 0.0 115.126 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -53.26 7.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.755 0.822 . . . . 0.0 110.994 172.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.594 HD12 HG11 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -64.35 -45.04 89.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.865 0.866 . . . . 0.0 111.56 178.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.64 -36.57 0.26 Allowed 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.346 4.258 . . . . 0.0 115.351 177.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.3 -16.72 3.67 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -16.96 27.82 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.003 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.43 -67.46 0.01 OUTLIER Glycine 0 N--CA 1.474 1.192 0 CA-C-N 121.445 1.929 . . . . 0.0 115.288 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -140.3 -62.96 0.49 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -172.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 137.85 -52.02 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 129.731 3.213 . . . . 0.0 108.022 -150.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -74.82 86.55 2.22 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 109.42 163.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' B' ' 73' ' ' GLU . 2.4 t -64.4 111.95 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.934 2.494 . . . . 0.0 113.45 -163.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.35 162.9 5.61 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.377 1.871 . . . . 0.0 112.763 166.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -37.82 64.53 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.009 0.923 . . . . 0.0 111.746 174.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 -45.97 91.36 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 110.998 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.636 ' HB2' HG13 ' B' ' 69' ' ' VAL . 16.2 mt-10 -61.74 -50.71 71.32 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.798 1.239 . . . . 0.0 110.147 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -61.11 -55.04 37.09 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.184 0.594 . . . . 0.0 111.438 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.16 -41.63 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.966 0.906 . . . . 0.0 112.372 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -53.96 -48.41 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.168 0.987 . . . . 0.0 111.187 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -79.76 -24.02 41.81 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.729 HG12 ' SD ' ' A' ' 8' ' ' MET . 24.5 t -52.13 -36.14 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 120.596 1.544 . . . . 0.0 110.776 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.09 63.09 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 172.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.07 -48.45 16.04 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.256 0.935 . . . . 0.0 109.897 163.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.72 -46.05 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.803 2.041 . . . . 0.0 112.801 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -53.02 -28.82 26.14 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.164 0.986 . . . . 0.0 112.829 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.0 p -88.65 -41.52 12.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.701 0.8 . . . . 0.0 112.708 168.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.85 68.9 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.52 1.528 . . . . 0.0 113.227 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 52.1 p -62.93 -20.39 65.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -108.78 -15.26 14.44 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.829 2.052 . . . . 0.0 113.062 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -60.25 -27.77 67.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.328 1.451 . . . . 0.0 111.764 166.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.25 -49.7 5.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.983 0.913 . . . . 0.0 112.889 169.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 t80 60.52 -24.24 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.797 2.439 . . . . 0.0 116.769 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.69 -19.97 30.68 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.573 1.533 . . . . 0.0 111.557 147.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.78 -94.78 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.387 1.475 . . . . 0.0 110.035 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.4 t -75.25 -2.14 26.67 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.6 -4.85 79.38 Favored Glycine 0 CA--C 1.535 1.285 0 O-C-N 120.541 -1.35 . . . . 0.0 113.346 164.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 63.4 tp -89.94 -32.01 17.01 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.695 1.247 . . . . 0.0 111.341 156.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.258 1.507 0 C-N-CA 125.356 1.463 . . . . 0.0 113.17 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 32.7 ttm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -155.85 -173.19 4.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 131.332 3.853 . . . . 0.0 106.652 -172.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -60.43 -52.92 63.18 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 122.689 2.495 . . . . 0.0 111.297 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.53 -52.17 49.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.577 1.551 . . . . 0.0 110.905 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 36.8 mt-10 -79.59 -13.67 59.36 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.18 63.64 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.067 1.758 . . . . 0.0 109.867 171.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.31 89.93 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.497 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' HG12 ' B' ' 78' ' ' VAL . 61.0 mtm -62.52 -32.41 73.34 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 120.55 1.523 . . . . 0.0 113.93 169.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.68 -41.33 9.64 Favored Glycine 0 C--O 1.214 -1.103 0 CA-C-O 117.454 -1.748 . . . . 0.0 111.386 163.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.9 mtp -68.47 -31.68 71.15 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.232 2.016 . . . . 0.0 114.182 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.315 0.0 OUTLIER -91.21 -30.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 120.11 1.323 . . . . 0.0 113.75 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.83 -32.65 57.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 121.73 -0.606 . . . . 0.0 110.481 157.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.28 -40.57 70.82 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 120.557 -1.339 . . . . 0.0 111.619 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.68 -47.19 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.734 1.606 . . . . 0.0 110.989 165.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.48 -21.94 66.19 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -90.2 -7.08 54.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.764 1.626 . . . . 0.0 112.9 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -73.62 -55.85 5.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.908 1.283 . . . . 0.0 110.221 165.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -102.73 -52.36 3.1 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -159.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -10.02 31.32 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.012 0.823 . . . . 0.0 112.147 154.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 -9.06 10.18 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.811 1.672 . . . . 0.0 115.912 161.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m 113.13 -66.52 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 131.998 4.119 . . . . 0.0 106.286 -157.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -140.43 155.41 46.73 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.334 1.453 . . . . 0.0 109.991 167.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.73 2.86 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.299 0.952 . . . . 0.0 115.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.41 -4.88 0.33 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.829 2.052 . . . . 0.0 111.715 -153.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 p 77.2 -160.12 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.562 1.145 . . . . 0.0 109.36 -111.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -108.76 61.19 0.6 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.321 1.419 . . . . 0.0 111.203 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.8 p -139.35 161.2 38.02 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.838 1.655 . . . . 0.0 110.924 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.62 116.03 21.17 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 150.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -73.61 163.34 28.14 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.596 -0.842 . . . . 0.0 111.316 152.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -55.77 -30.2 60.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.39 1.876 . . . . 0.0 113.16 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.4 -14.39 74.05 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.022 1.296 . . . . 0.0 114.987 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -102.44 -39.42 7.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 128.362 2.665 . . . . 0.0 109.879 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -26.97 25.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.285 2.234 . . . . 0.0 114.837 168.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -81.86 -48.22 11.82 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.035 1.289 . . . . 0.0 114.291 -165.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -15.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.903 1.681 . . . . 0.0 111.792 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.99 -68.45 0.39 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.299 2.24 . . . . 0.0 110.672 157.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . 0.345 8.2 ptm -53.74 -14.5 0.94 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 -168.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.43 -35.55 70.22 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 121.302 1.864 . . . . 0.0 113.311 165.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.99 -49.56 6.52 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 128.835 2.854 . . . . 0.0 111.197 -161.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -0.73 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.418 1.487 . . . . 0.0 113.925 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mt -122.79 31.88 0.2 Allowed Pre-proline 0 CA--C 1.566 1.581 0 C-N-CA 125.188 1.395 . . . . 0.0 114.168 160.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -54.41 132.56 51.59 Favored 'Trans proline' 0 C--N 1.362 1.268 0 CA-C-N 122.733 2.012 . . . . 0.0 113.038 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.2 -38.42 3.31 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.709 1.623 . . . . 0.0 112.209 -172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.441 1.12 . . . . 0.0 111.244 166.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.04 7.65 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 130.286 3.434 . . . . 0.0 114.136 171.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -47.57 -30.15 3.37 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.172 1.351 . . . . 0.0 113.759 166.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.7 m -91.09 -18.87 23.82 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.64 1.976 . . . . 0.0 114.814 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.23 -79.14 0.01 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 126.265 1.888 . . . . 0.0 112.81 -158.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.2 125.23 11.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.335 1.854 . . . . 0.0 109.79 167.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -138.59 4.13 2.35 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.333 2.253 . . . . 0.0 112.326 -170.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 48.76 23.15 0.62 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 128.646 2.778 . . . . 0.0 115.56 -162.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.26 -6.18 1.4 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.5 -53.06 2.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.418 1.887 . . . . 0.0 110.69 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -44.11 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.038 0.935 . . . . 0.0 110.107 161.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.56 -18.83 62.91 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 125.46 1.504 . . . . 0.0 114.044 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -98.73 -23.78 15.29 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.218 1.372 . . . . 0.0 111.686 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.91 0.52 10.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.838 . . . . 0.0 111.543 156.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -102.38 -74.87 0.62 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.707 1.603 . . . . 0.0 110.214 162.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -42.84 3.28 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.613 3.165 . . . . 0.0 115.046 -170.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 m-20 -55.87 -48.62 75.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.028 1.331 . . . . 0.0 112.303 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -86.05 -46.41 10.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.82 1.648 . . . . 0.0 112.199 -177.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.05 -35.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 131.636 3.975 . . . . 0.0 114.828 169.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.96 -26.47 1.76 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.367 1.867 . . . . 0.0 115.345 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.53 -14.18 49.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.944 1.698 . . . . 0.0 112.014 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.82 -66.82 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 120.362 1.437 . . . . 0.0 114.95 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.09 -59.56 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.732 0.813 . . . . 0.0 112.764 -167.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.17 -51.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 130.292 3.437 . . . . 0.0 107.836 -155.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.67 97.2 0.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.379 0.609 . . . . 0.0 110.177 157.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.0 102.78 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 129.598 3.159 . . . . 0.0 111.361 -169.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.48 164.55 3.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.941 1.696 . . . . 0.0 112.704 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -56.78 -33.51 66.71 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 123.678 0.791 . . . . 0.0 112.043 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -62.42 -53.5 53.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.426 1.49 . . . . 0.0 110.528 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.14 -49.92 75.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.371 1.468 . . . . 0.0 109.518 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 78' ' ' VAL . 55.6 t80 -56.48 -64.69 0.78 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.42 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.66 -37.49 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 120.158 1.345 . . . . 0.0 113.164 -173.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.64 -51.31 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 123.662 0.785 . . . . 0.0 110.957 172.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 60' ' ' ASP . 6.7 m-85 -77.77 -20.79 52.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG12 ' SD ' ' B' ' 8' ' ' MET . 70.4 t -55.08 -53.61 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 162.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.4 -7.31 6.27 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 171.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.58 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.127 1.331 . . . . 0.0 111.907 162.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.51 -47.37 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.998 2.119 . . . . 0.0 111.429 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 HG12 ' B' ' 75' ' ' ILE . 8.8 t -56.13 -9.6 0.67 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 173.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.6 p -109.3 -35.49 6.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.785 1.634 . . . . 0.0 112.153 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.64 -30.29 65.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.803 1.641 . . . . 0.0 113.896 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -65.65 -0.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -173.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' HA ' HG23 ' A' ' 92' ' ' THR . 12.4 p-80 -52.52 -19.26 2.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -50.88 -20.95 1.47 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.308 2.243 . . . . 0.0 114.449 168.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.413 ' HD2' HG22 ' A' ' 92' ' ' THR . 17.5 m-85 -56.39 -28.11 58.29 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -144.42 -119.85 0.09 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.112 0.869 . . . . 0.0 109.003 156.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -28.98 24.77 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.209 1.368 . . . . 0.0 111.578 160.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 -23.35 4.52 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 86' ' ' HIS . 28.8 p 112.28 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 130.909 3.684 . . . . 0.0 108.577 -152.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.94 17.23 8.15 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.376 1.465 . . . . 0.0 114.111 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -154.77 -37.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.286 2.234 . . . . 0.0 109.705 -171.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? . . . . . 0 C--O 1.257 1.482 0 C-N-CA 128.539 2.736 . . . . 0.0 107.479 171.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpp . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.5 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 23.8 p -134.16 -172.83 3.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.432 2.693 . . . . 0.0 108.632 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -57.58 -56.76 17.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.14 1.791 . . . . 0.0 111.294 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.44 -46.54 63.05 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.962 1.705 . . . . 0.0 112.344 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' B' ' 2' ' ' THR . 57.0 mt-10 -78.46 -30.79 47.63 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.84 80.02 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 120.004 1.274 . . . . 0.0 110.626 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.84 69.83 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.241 0.616 . . . . 0.0 110.373 165.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.466 ' SD ' HG12 ' A' ' 78' ' ' VAL . 67.0 mtm -60.89 -32.7 72.15 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.26 -34.97 19.18 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 118.619 -1.1 . . . . 0.0 112.438 164.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 21.7 mtt -80.54 -37.19 31.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.164 1.482 . . . . 0.0 113.383 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -30.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.444 1.474 . . . . 0.0 112.463 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm -63.1 -42.1 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.759 161.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.93 -48.96 74.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.18 1.355 . . . . 0.0 113.124 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -33.51 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.161 1.346 . . . . 0.0 112.436 -176.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.478 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . 53.4 t80 -72.87 -42.13 63.97 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.162 1.385 . . . . 0.0 113.61 167.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 17.1 t -71.65 1.42 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.426 1.891 . . . . 0.0 114.178 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -87.96 -57.64 2.86 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.165 1.786 . . . . 0.0 109.926 159.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 36' ' ' LEU . 6.3 m-85 -76.99 -45.25 28.01 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -170.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -75.26 -3.08 31.14 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 0.0 112.814 162.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.86 16.49 0.07 OUTLIER Glycine 0 C--N 1.345 1.079 1 C-N-CA 130.748 4.023 . . . . 0.0 119.35 -149.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.1 m -160.08 -59.39 0.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 163.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' H ' ' B' ' 26' ' ' GLN . 50.4 mt-10 -137.89 157.36 46.56 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.306 1.442 . . . . 0.0 109.305 147.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.06 33.68 2.29 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 126.503 2.001 . . . . 0.0 110.412 166.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 145.18 -69.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.41 3.484 . . . . 0.0 109.751 -155.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t 179.67 52.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.218 3.407 . . . . 0.0 107.168 -172.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.42 ' H ' ' HA ' ' B' ' 22' ' ' GLU 0.335 4.7 pt20 30.57 62.57 0.19 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.5 2.72 . . . . 0.0 115.393 -153.391 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -127.12 172.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.014 2.126 . . . . 0.0 107.482 156.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.7 mp -90.11 109.46 20.52 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 153.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -67.82 157.01 35.79 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.722 148.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.414 ' HB2' HD22 ' B' ' 58' ' ' LEU . 72.1 tttt -45.85 -34.69 3.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.811 2.444 . . . . 0.0 113.501 171.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.65 -28.44 55.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.463 1.03 . . . . 0.0 114.76 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.45 -49.48 16.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.607 1.563 . . . . 0.0 108.899 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -47.43 -39.62 16.03 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.159 2.184 . . . . 0.0 113.34 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -60.74 -47.0 88.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.51 1.505 . . . . 0.0 114.546 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.64 -6.03 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.057 1.343 . . . . 0.0 112.133 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' B' ' 18' ' ' TYR . 47.8 tp -90.45 -36.8 14.35 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.637 2.775 . . . . 0.0 111.624 174.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mmt -69.1 -25.82 64.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 111.675 -172.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.74 -25.8 55.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.646 1.178 . . . . 0.0 113.084 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -106.78 -48.67 3.46 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.669 1.988 . . . . 0.0 109.906 -167.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.15 -35.45 21.71 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.475 1.51 . . . . 0.0 114.232 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.74 40.87 0.65 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 126.577 1.951 . . . . 0.0 115.082 -165.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -34.94 127.41 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 123.062 2.508 . . . . 0.0 113.759 157.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.45 -40.38 2.46 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.858 1.218 . . . . 0.0 113.788 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -65.89 -22.51 66.52 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.881 1.84 . . . . 0.0 110.991 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -6.97 29.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.322 2.649 . . . . 0.0 113.526 171.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.12 -23.58 67.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.858 1.208 . . . . 0.0 111.613 166.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.3 t -96.25 -67.28 0.86 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.838 0.855 . . . . 0.0 109.958 155.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.36 3.62 66.51 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-O 117.05 -1.972 . . . . 0.0 115.563 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.253 0.0 OUTLIER 173.87 -108.85 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.342 2.657 . . . . 0.0 111.357 -176.339 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 9.6 m-20 49.86 18.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.385 2.674 . . . . 0.0 115.348 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.374 0.0 OUTLIER 48.7 18.72 0.2 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.535 2.734 . . . . 0.0 116.116 -161.009 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.62 -10.42 7.34 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.442 1.897 . . . . 0.0 114.43 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.92 175.13 9.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.319 1.447 . . . . 0.0 109.697 160.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t 57.94 -64.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 126.274 1.83 . . . . 0.0 110.65 -160.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -48.26 -39.02 20.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.058 2.143 . . . . 0.0 113.465 167.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -92.72 -9.46 40.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.495 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.0 mm? -88.75 -1.08 57.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.924 0.489 . . . . 0.0 110.231 163.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' B' ' 30' ' ' LYS . 6.3 tp -102.15 -71.42 0.72 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.593 2.357 . . . . 0.0 109.736 167.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -34.4 1.47 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.287 3.035 . . . . 0.0 115.668 -170.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -46.0 90.91 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.629 1.972 . . . . 0.0 113.008 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.52 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -101.34 -25.97 13.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.81 2.444 . . . . 0.0 113.086 -174.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.4 -22.01 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 131.499 3.92 . . . . 0.0 114.244 163.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.89 -24.7 0.15 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.04 2.136 . . . . 0.0 114.507 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -48.99 -40.74 31.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.756 2.422 . . . . 0.0 115.04 165.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.49 -72.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.58 0.61 . . . . 0.0 113.795 -165.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -160.25 -50.58 0.05 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -160.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 158.28 3.94 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 130.886 3.674 . . . . 0.0 113.323 -157.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -121.62 93.66 4.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.297 1.839 . . . . 0.0 109.611 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.484 HG11 HD12 ' B' ' 61' ' ' LEU . 20.8 t -72.53 122.81 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.774 2.43 . . . . 0.0 111.279 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.251 0.3 OUTLIER -87.11 169.98 11.91 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 120.057 1.299 . . . . 0.0 114.213 167.461 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.59 -36.56 67.02 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.223 1.809 . . . . 0.0 112.8 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.02 -11.02 55.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.844 2.058 . . . . 0.0 112.986 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -127.59 -45.79 1.47 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 126.977 2.111 . . . . 0.0 108.649 -158.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 60.7 t80 -40.04 -62.0 0.79 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.784 151.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 82' ' ' THR . 7.2 tp -57.61 -37.79 60.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.24 -47.78 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.998 0.817 . . . . 0.0 110.761 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -83.51 -22.33 32.5 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.486 HG12 ' SD ' ' A' ' 8' ' ' MET . 42.7 t -51.3 -51.35 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.903 1.281 . . . . 0.0 108.912 159.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.16 -7.48 9.17 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.78 13.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 120.23 1.377 . . . . 0.0 111.686 161.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mm -51.26 -48.64 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.95 1.7 . . . . 0.0 110.809 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -53.95 -24.35 16.23 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.6 m -94.87 -34.53 12.41 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.118 0.967 . . . . 0.0 111.268 172.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.4 -9.74 59.0 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.522 1.529 . . . . 0.0 114.701 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -11.18 0.88 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 128.594 2.757 . . . . 0.0 115.822 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -54.06 11.18 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 129.218 3.007 . . . . 0.0 115.758 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -91.08 -16.47 27.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 113.655 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -111.68 -31.7 6.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -148.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.05 28.29 0.3 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 121.974 2.17 . . . . 0.0 110.915 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 57.9 -38.26 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.331 1.853 . . . . 0.0 112.476 -134.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . 0.283 0.0 OUTLIER -114.39 -134.71 0.35 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.855 2.062 . . . . 0.0 112.185 170.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -45.92 95.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.797 2.439 . . . . 0.0 113.262 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.16 63.02 1.36 Allowed Glycine 0 N--CA 1.469 0.848 0 C-N-CA 126.643 2.068 . . . . 0.0 115.516 -168.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 46.2 tp 49.83 70.33 0.51 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 108.83 -159.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . 0.356 0.0 OUTLIER . . . . . 0 C--O 1.251 1.148 0 C-N-CA 131.055 3.742 . . . . 0.0 111.049 -159.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.468 0.429 0 CA-C-O 121.084 0.469 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -150.4 -169.32 3.35 Favored 'General case' 0 N--CA 1.472 0.666 1 C-N-CA 132.834 4.454 . . . . 0.0 106.019 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.71 -52.93 63.02 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 122.251 2.296 . . . . 0.0 111.508 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 11' ' ' ILE . 4.2 tp -50.43 -54.96 18.03 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.958 1.703 . . . . 0.0 110.421 175.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.08 -23.94 51.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.53 68.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.464 1.484 . . . . 0.0 110.828 170.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.5 92.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.918 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -34.01 76.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.93 1.241 . . . . 0.0 114.287 168.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.0 -28.89 7.92 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 118.123 -1.376 . . . . 0.0 113.142 163.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.8 mtt -80.68 -27.22 37.15 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.023 1.912 . . . . 0.0 113.682 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.459 HD11 HD11 ' B' ' 11' ' ' ILE 0.258 0.0 OUTLIER -90.68 -25.78 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 120.724 1.602 . . . . 0.0 112.877 172.713 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.56 -32.14 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.573 154.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 32.9 t70 -68.06 -31.28 70.81 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 121.111 1.778 . . . . 0.0 113.331 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 36' ' ' LEU . 40.9 t -58.02 -31.23 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.253 1.842 . . . . 0.0 111.451 167.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.31 -10.68 59.0 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.899 1.28 . . . . 0.0 114.296 168.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP 0.274 0.0 OUTLIER -94.55 -23.09 17.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.638 1.575 . . . . 0.0 113.884 171.865 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -64.08 0.97 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.214 1.806 . . . . 0.0 111.467 164.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.99 -67.15 0.86 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.769 0.828 . . . . 0.0 111.926 -168.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 4.34 1.33 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.618 1.967 . . . . 0.0 115.363 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.81 55.17 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.089 1.328 . . . . 0.0 115.857 170.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t 105.89 -83.09 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.456 1 C-N-CA 132.298 4.239 . . . . 0.0 105.185 -173.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.49 70.2 1.38 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 122.01 0.909 . . . . 0.0 108.899 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.11 44.77 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 116.474 -2.292 . . . . 0.0 113.372 165.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.31 46.5 m -24.47 11.05 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 2 C-N-CA 136.807 6.043 . . . . 0.0 123.179 -151.982 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.7 p -53.67 -65.64 0.53 Allowed 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 123.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -78.49 71.1 4.93 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.691 1.596 . . . . 0.0 110.539 165.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -62.95 172.47 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 126.203 1.801 . . . . 0.0 111.9 141.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.18 77.47 1.28 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.559 1.171 . . . . 0.0 110.178 155.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -61.06 153.4 25.55 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.505 153.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -46.0 -33.25 3.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.965 2.106 . . . . 0.0 113.233 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.54 -26.02 52.18 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.599 1.095 . . . . 0.0 115.438 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -79.74 -51.71 8.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.295 1.838 . . . . 0.0 109.094 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.32 -36.16 41.35 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.564 2.745 . . . . 0.0 113.976 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -61.78 -47.8 83.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -171.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -67.82 -42.77 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.243 0.929 . . . . 0.0 110.113 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 31.5 tp -45.49 -36.21 4.33 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.273 1.829 . . . . 0.0 112.391 168.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.411 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.39 -20.17 44.65 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -174.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.87 -13.14 61.33 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.643 1.11 . . . . 0.0 112.054 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -129.53 -43.97 1.25 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.012 2.525 . . . . 0.0 110.292 -150.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HB3' ' H ' ' B' ' 4' ' ' LEU . 3.5 mt-10 -126.66 -5.96 6.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.402 1.481 . . . . 0.0 113.903 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.36 37.23 0.36 Allowed Pre-proline 0 CA--C 1.559 1.32 0 CA-C-N 120.113 1.324 . . . . 0.0 114.467 167.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.69 146.65 75.76 Favored 'Trans proline' 0 C--N 1.357 1.024 0 CA-C-N 121.757 1.663 . . . . 0.0 111.857 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.63 -50.2 1.15 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.646 1.117 . . . . 0.0 111.997 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -60.15 -17.38 40.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.352 1.076 . . . . 0.0 111.688 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.1 OUTLIER -75.61 -1.03 22.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.576 1.951 . . . . 0.0 114.727 173.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -22.85 63.99 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.615 1.098 . . . . 0.0 112.441 159.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -102.48 -44.08 5.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.549 1.94 . . . . 0.0 111.418 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.79 -34.37 0.28 Allowed Glycine 0 N--CA 1.476 1.325 0 C-N-CA 127.175 2.321 . . . . 0.0 118.615 156.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -163.41 -18.66 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.226 2.21 . . . . 0.0 113.795 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.12 52.41 2.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.614 1.197 . . . . 0.0 114.146 -144.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.67 -18.58 0.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.174 2.59 . . . . 0.0 113.996 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -91.26 -22.55 20.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 113.541 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.25 179.63 6.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.503 1.521 . . . . 0.0 111.456 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t 59.76 -64.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.006 2.122 . . . . 0.0 109.745 -156.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -48.61 -40.39 27.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.409 2.284 . . . . 0.0 113.011 169.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.41 -15.06 26.04 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' O ' HD21 ' A' ' 61' ' ' LEU . 4.0 mm? -77.53 1.43 19.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.187 0.595 . . . . 0.0 111.059 162.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tt -111.95 -63.49 1.41 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.911 2.884 . . . . 0.0 109.807 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -26.34 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 0.0 115.861 -172.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.5 -38.17 74.28 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.364 0.665 . . . . 0.0 111.939 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -95.8 -38.19 10.42 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.893 1.677 . . . . 0.0 113.145 -172.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -23.1 -36.34 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 1 C-N-CA 132.272 4.229 . . . . 0.0 115.848 162.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.45 -25.46 36.57 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.869 2.067 . . . . 0.0 114.989 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.63 -9.99 54.84 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.899 1.68 . . . . 0.0 111.817 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.14 -70.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-N 120.296 1.407 . . . . 0.0 114.891 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -154.51 -59.15 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -171.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 143.41 -50.8 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.473 3.509 . . . . 0.0 107.4 -155.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.28 90.15 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.468 -0.77 . . . . 0.0 110.317 156.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.36 114.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.908 2.483 . . . . 0.0 112.83 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.27 174.24 10.9 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 127.338 2.255 . . . . 0.0 113.41 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -63.32 -36.78 84.82 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.519 -1.363 . . . . 0.0 113.3 -167.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 -46.65 72.4 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.524 0.73 . . . . 0.0 110.929 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.33 -49.71 73.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.375 1.07 . . . . 0.0 109.738 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -55.53 -67.95 0.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.202 1.001 . . . . 0.0 111.67 175.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 tp -55.78 -40.45 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 119.714 1.143 . . . . 0.0 113.222 -169.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -57.76 -47.42 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 0.0 111.307 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.5 -16.39 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG12 ' SD ' ' B' ' 8' ' ' MET . 54.9 t -51.96 -49.2 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 120.036 1.289 . . . . 0.0 108.718 160.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.5 -7.38 19.4 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.26 -33.75 17.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.584 1.084 . . . . 0.0 111.605 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -58.61 -45.92 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.487 1.494 . . . . 0.0 111.544 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -56.92 -17.93 11.44 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 m -102.98 -28.58 11.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.679 1.992 . . . . 0.0 111.83 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.16 67.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.98 -1.7 . . . . 0.0 111.934 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m -68.39 0.35 4.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.834 166.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -34.49 -66.55 0.17 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.154 2.182 . . . . 0.0 114.611 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 42.12 -74.75 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.758 3.223 . . . . 0.0 114.582 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -96.16 -28.05 14.75 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.379 1.472 . . . . 0.0 114.122 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.367 3.3 p90 41.1 18.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.187 1 C-N-CA 132.47 4.308 . . . . 0.0 120.49 175.058 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -17.12 62.65 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.621 -0.674 . . . . 0.0 111.957 144.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -118.84 -118.13 0.31 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.576 2.751 . . . . 0.0 108.785 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.9 p -136.02 80.79 1.85 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 130.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.12 -52.98 0.57 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 128.072 2.749 . . . . 0.0 113.182 -170.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.47 1.27 0.6 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 129.87 3.268 . . . . 0.0 113.079 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--O 1.248 1.004 0 C-N-CA 128.766 2.826 . . . . 0.0 112.95 -176.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.032 -0.509 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 76.4 p -144.3 -92.94 0.11 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.218 1.407 . . . . 0.0 110.394 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -143.52 -56.04 0.39 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 128.398 2.679 . . . . 0.0 107.347 171.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.41 ' H ' ' HB3' ' A' ' 40' ' ' GLU . 4.9 tt -49.01 -55.92 10.52 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.299 1.839 . . . . 0.0 111.516 157.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -74.69 -17.89 60.6 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.454 -0.779 . . . . 0.0 112.938 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.52 70.51 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.333 1.424 . . . . 0.0 110.839 171.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.18 95.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.073 0.949 . . . . 0.0 110.773 170.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.406 ' SD ' HG12 ' A' ' 78' ' ' VAL . 75.1 mtm -62.0 -34.63 76.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 171.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.99 9.71 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-O 119.165 -0.797 . . . . 0.0 113.327 163.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mtp -80.83 -37.38 30.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.105 1.452 . . . . 0.0 113.006 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.31 -33.8 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 120.75 1.614 . . . . 0.0 111.984 171.28 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mm -58.18 -33.6 47.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.785 0.834 . . . . 0.0 110.321 161.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.21 -36.99 64.01 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.385 -1.447 . . . . 0.0 114.58 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.64 -26.26 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.31 1.868 . . . . 0.0 110.642 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' B' ' 28' ' ' LEU . 8.7 t80 -66.13 -43.48 86.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.288 -0.882 . . . . 0.0 113.097 162.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -52.15 -29.53 22.46 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.464 1.506 . . . . 0.0 113.85 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -54.41 -23.82 17.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.725 1.61 . . . . 0.0 113.667 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -127.84 -70.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.084 1.353 . . . . 0.0 110.173 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . 0.273 0.9 OUTLIER -138.3 17.0 2.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.15 -2.46 13.8 Favored Glycine 0 CA--C 1.54 1.633 0 O-C-N 121.272 -0.892 . . . . 0.0 112.214 142.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 12.8 m -47.77 -29.72 3.36 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.336 1.854 . . . . 0.0 112.689 149.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . 0.389 19.0 pt-20 37.82 17.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 1 C-N-CA 133.075 4.55 . . . . 0.0 119.32 171.07 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.58 65.76 0.28 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 142.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 m -63.8 30.76 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.42 3.088 . . . . 0.0 116.088 -167.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 52.5 m -67.26 -44.39 79.49 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.696 -1.253 . . . . 0.0 109.421 144.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -97.74 86.91 3.9 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 122.386 1.089 . . . . 0.0 108.888 159.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.307 32.9 p -69.74 174.58 4.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.821 3.648 . . . . 0.0 112.148 143.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' B' ' 15' ' ' PHE . 5.3 mp -64.15 86.36 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.296 1.046 . . . . 0.0 109.142 153.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -66.53 154.02 41.45 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.093 -1.004 . . . . 0.0 109.208 150.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -51.89 -34.07 39.62 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 112.851 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -22.82 70.16 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.735 1.16 . . . . 0.0 114.795 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.31 -48.3 9.19 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.183 1.393 . . . . 0.0 109.707 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tt -47.25 -48.53 24.5 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 127.927 2.491 . . . . 0.0 113.85 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.58 -42.9 16.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -171.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.22 -25.03 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.511 1.124 . . . . 0.0 111.835 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -75.74 -38.85 58.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.103 1.361 . . . . 0.0 111.682 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmt -60.48 -33.37 72.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.233 1.013 . . . . 0.0 112.75 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.95 -30.41 24.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.128 1.771 . . . . 0.0 112.609 171.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -101.22 -43.39 6.0 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.409 1.884 . . . . 0.0 110.256 -173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -87.6 -35.33 18.14 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER -151.12 65.34 6.67 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.37 127.6 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.302 3.335 . . . . 0.0 113.725 153.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.78 -56.95 0.69 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.839 1.209 . . . . 0.0 111.186 -171.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -59.08 -23.75 62.32 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.121 0.96 . . . . 0.0 112.018 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.27 -9.67 34.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.507 2.323 . . . . 0.0 113.685 173.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -65.75 -27.93 68.67 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.748 1.158 . . . . 0.0 112.173 164.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -92.78 -49.87 5.85 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 110.557 164.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.59 -7.25 0.09 OUTLIER Glycine 0 CA--C 1.543 1.797 0 N-CA-C 118.402 2.121 . . . . 0.0 118.402 170.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.382 0.0 OUTLIER 118.93 105.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 134.241 5.017 . . . . 0.0 111.978 168.167 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.12 -1.68 7.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.109 2.164 . . . . 0.0 111.652 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 133.98 -29.35 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 1 C-N-CA 132.541 4.337 . . . . 0.0 111.185 -146.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.07 176.06 5.23 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -167.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.54 -67.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 1 C-N-CA 131.863 4.065 . . . . 0.0 116.553 163.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -53.17 -39.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.85 0.86 . . . . 0.0 108.886 160.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.58 -29.33 70.35 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 171.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -88.64 -45.77 9.58 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.267 1.394 . . . . 0.0 111.509 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.454 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.0 mm? -53.02 -12.75 0.36 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.145 1.778 . . . . 0.0 112.792 160.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -90.53 -68.84 0.76 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.223 1.009 . . . . 0.0 111.57 156.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.423 ' HE2' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -52.05 -31.06 28.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.033 2.533 . . . . 0.0 115.474 -164.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.29 -50.02 50.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.691 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -83.05 -34.67 26.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.819 1.648 . . . . 0.0 113.541 -175.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.423 ' OD2' ' HE2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -33.27 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 130.594 3.558 . . . . 0.0 114.846 167.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.56 65.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.564 1.946 . . . . 0.0 114.775 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -13.99 46.84 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.142 1.377 . . . . 0.0 111.272 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -129.26 -94.31 0.74 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.026 1.298 . . . . 0.0 112.193 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -150.51 -39.79 0.13 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.768 1.227 . . . . 0.0 112.673 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 173.22 -42.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 131.511 3.925 . . . . 0.0 109.147 -172.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.92 100.01 1.88 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.936 1.294 . . . . 0.0 109.986 171.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -75.29 108.91 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.149 2.179 . . . . 0.0 113.739 -171.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.25 171.62 14.22 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.789 2.036 . . . . 0.0 113.382 165.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -59.01 -35.54 73.44 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.01 1.324 . . . . 0.0 113.531 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -60.13 -53.69 54.77 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.319 0.963 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.47 -50.96 70.21 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.635 1.574 . . . . 0.0 109.615 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -55.57 -64.77 0.74 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.327 1.051 . . . . 0.0 112.164 175.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tp -58.54 -40.27 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 119.206 0.912 . . . . 0.0 112.367 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.48 -49.59 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.371 1.068 . . . . 0.0 111.298 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -85.01 -18.34 34.72 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -50.7 -47.51 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 119.951 1.25 . . . . 0.0 109.306 163.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -12.78 54.65 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.68 -36.83 21.63 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.797 1.18 . . . . 0.0 111.454 163.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -56.73 -44.67 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.278 1.431 . . . . 0.0 111.309 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -62.16 5.87 0.09 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.5 p -117.57 -39.55 3.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.144 1.778 . . . . 0.0 112.087 161.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.19 2.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.124 1.77 . . . . 0.0 114.16 -174.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 67.1 p -62.21 -41.63 98.55 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.274 0.943 . . . . 0.0 109.716 171.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -61.27 -58.96 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.527 2.331 . . . . 0.0 114.464 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.19 -46.09 0.22 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.542 1.937 . . . . 0.0 111.458 -154.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.89 -56.62 0.51 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.613 1.565 . . . . 0.0 112.549 157.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -152.01 98.45 2.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.967 2.107 . . . . 0.0 109.239 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . 0.283 4.9 pm0 32.25 -24.11 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.978 1 C-N-CA 132.613 4.365 . . . . 0.0 119.975 -154.89 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.91 -40.2 0.41 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 131.04 3.736 . . . . 0.0 110.912 162.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.253 9.4 t 144.0 60.4 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 1 C-N-CA 135.235 5.414 . . . . 0.0 108.759 -168.041 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.23 -6.32 78.57 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.65 2.071 . . . . 0.0 116.078 -164.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.51 -38.83 0.4 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.203 1.001 . . . . 0.0 111.678 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--O 1.257 1.482 0 C-N-CA 126.55 1.94 . . . . 0.0 108.664 164.237 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 119.921 -0.085 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -154.32 -175.12 5.25 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.446 3.099 . . . . 0.0 108.668 -169.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.3 -46.37 79.84 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.94 1.7 . . . . 0.0 112.593 172.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -46.1 55.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.904 0.881 . . . . 0.0 111.325 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' OE1' ' OG ' ' B' ' 85' ' ' SER . 95.3 mt-10 -73.28 -16.19 61.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 117.832 -1.08 . . . . 0.0 112.777 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.88 -28.87 27.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.422 1.464 . . . . 0.0 112.283 171.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.7 96.03 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.159 0.891 . . . . 0.0 109.932 164.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' ILE . 49.9 mtm -63.02 -34.39 77.46 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.032 -1.042 . . . . 0.0 113.786 163.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.17 -47.33 5.42 Favored Glycine 0 C--O 1.213 -1.177 0 CA-C-O 116.585 -2.231 . . . . 0.0 111.228 161.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.3 mtp -70.08 -26.54 64.04 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.608 2.204 . . . . 0.0 114.868 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' MET . 12.2 mt -78.05 -47.86 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 120.891 -1.131 . . . . 0.0 109.666 174.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mm -54.09 -28.14 17.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.858 1.663 . . . . 0.0 110.319 162.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.9 -40.72 31.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.507 1.523 . . . . 0.0 111.745 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -37.8 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 122.107 2.23 . . . . 0.0 110.423 165.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.59 -14.1 61.54 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.696 1.198 . . . . 0.0 113.168 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -100.45 -8.16 23.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.483 1.913 . . . . 0.0 112.879 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -77.06 -64.04 1.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.746 2.018 . . . . 0.0 109.551 161.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -88.48 -67.1 0.85 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.089 0.956 . . . . 0.0 112.168 -160.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -58.51 -8.24 1.17 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 158.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.94 -4.11 8.53 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.466 1.508 . . . . 0.0 115.999 167.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m 126.11 -74.75 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.603 1 C-N-CA 133.736 4.814 . . . . 0.0 105.92 -170.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -150.78 178.13 9.42 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.276 2.63 . . . . 0.0 108.263 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.3 -32.96 0.59 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.885 1.231 . . . . 0.0 112.218 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.325 1.3 t 35.82 21.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 130.602 3.561 . . . . 0.0 117.701 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -68.66 -36.52 78.67 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.321 1.448 . . . . 0.0 111.921 111.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 19' ' ' SER . 29.6 mt-30 -132.84 77.46 1.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 130.214 3.406 . . . . 0.0 105.999 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p -33.66 153.8 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.736 2 C-N-CA 139.719 7.208 . . . . 0.0 119.922 60.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.29 67.6 2.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.585 1.154 . . . . 0.0 110.067 167.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.496 ' HB ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -51.86 146.9 7.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 145.175 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -35.09 -40.3 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.97 2.508 . . . . 0.0 113.544 171.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 -27.25 55.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.635 1.112 . . . . 0.0 115.546 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.94 -55.26 5.62 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.123 1.461 . . . . 0.0 108.711 168.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 54' ' ' VAL . 5.5 tt -41.62 -42.15 2.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 129.272 3.029 . . . . 0.0 113.664 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -59.13 -35.48 73.54 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.84 -14.91 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.684 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -81.69 -24.44 36.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.639 2.376 . . . . 0.0 112.042 166.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mmm -79.13 -52.72 7.81 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.919 -1.113 . . . . 0.0 112.945 -164.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.33 3.13 0.2 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.306 2.242 . . . . 0.0 113.996 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -142.73 -52.02 0.38 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 128.81 2.844 . . . . 0.0 109.169 -146.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -123.52 -0.33 8.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.8 28.38 0.16 Allowed Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 167.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -34.18 -14.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.36 2 C-N-CA 127.523 5.482 . . . . 0.0 123.05 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.41 52.38 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 121.472 1.942 . . . . 0.0 115.195 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CD2' HD21 ' A' ' 57' ' ' LEU . 92.2 m-85 -87.91 -5.85 58.35 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.055 1.427 . . . . 0.0 111.769 169.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.1 3.67 29.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.649 2.379 . . . . 0.0 111.478 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.4 -26.29 67.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.43 2.292 . . . . 0.0 111.603 165.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -89.55 -30.28 18.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.801 0.84 . . . . 0.0 112.038 158.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.06 4.33 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 125.984 1.754 . . . . 0.0 113.532 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -162.51 -75.54 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.284 2.233 . . . . 0.0 108.998 149.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 30.0 t70 15.09 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.7 3.2 . . . . 0.0 113.983 -176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 -10.91 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -172.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.26 2.28 26.64 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.48 2.312 . . . . 0.0 112.657 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.9 -168.42 3.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.006 1.722 . . . . 0.0 109.193 143.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG13 HD22 ' A' ' 33' ' ' LEU . 83.0 t 62.99 -63.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.02 2.128 . . . . 0.0 109.824 -162.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.28 -34.92 11.17 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.186 2.194 . . . . 0.0 112.618 164.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -94.74 -11.15 29.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.7 mm? -90.81 5.8 46.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.023 0.929 . . . . 0.0 110.672 163.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -108.35 -70.25 0.81 Allowed 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.128 2.971 . . . . 0.0 107.398 170.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -34.44 4.05 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.799 2.44 . . . . 0.0 115.956 -172.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -49.94 74.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.477 1.511 . . . . 0.0 112.319 173.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.12 -34.91 13.46 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 126.437 1.895 . . . . 0.0 113.391 -171.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.36 -24.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 1 C-N-CA 133.074 4.549 . . . . 0.0 115.644 166.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.31 70.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.247 1.819 . . . . 0.0 115.054 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -18.45 48.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.189 0.996 . . . . 0.0 111.346 -178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.38 -88.87 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 125.395 1.474 . . . . 0.0 112.252 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -154.46 -40.39 0.09 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 168.83 -36.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 131.161 3.784 . . . . 0.0 109.524 -173.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 26.9 mt-30 -75.95 76.68 2.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.128 0.971 . . . . 0.0 110.993 170.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -45.98 103.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 128.035 2.534 . . . . 0.0 112.364 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.63 167.09 17.66 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.952 2.501 . . . . 0.0 112.582 163.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -56.89 -36.74 70.47 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.023 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -49.54 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.526 1.13 . . . . 0.0 111.131 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.38 -47.48 85.61 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.371 0.668 . . . . 0.0 109.362 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 78' ' ' VAL . 42.0 t80 -59.77 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.643 1.177 . . . . 0.0 112.455 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.541 HG12 HG21 ' B' ' 82' ' ' THR . 11.2 tp -51.32 -43.42 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -175.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.01 -50.25 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.979 1.312 . . . . 0.0 111.154 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -81.01 -18.75 45.75 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.608 HG12 ' SD ' ' B' ' 8' ' ' MET . 92.0 t -58.52 -47.35 88.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 119.732 1.151 . . . . 0.0 107.996 164.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.95 1.32 0.94 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 168.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.81 -39.96 9.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.872 1.214 . . . . 0.0 111.308 156.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mm -54.72 -36.34 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.732 2.413 . . . . 0.0 111.952 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.1 t -43.3 -53.8 5.0 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.234 1.379 . . . . 0.0 111.444 169.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 m -74.37 -57.07 4.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.674 1.59 . . . . 0.0 111.246 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.41 66.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -77.36 -12.55 59.97 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.75 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.158 1.783 . . . . 0.0 112.21 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt 47.32 -7.86 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 129.891 3.276 . . . . 0.0 118.803 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.08 -19.97 1.48 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -161.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -155.65 -131.0 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 122.291 2.314 . . . . 0.0 112.968 162.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -28.22 69.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.675 1.125 . . . . 0.0 111.259 168.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.64 ' HD2' ' H ' ' A' ' 92' ' ' THR 0.263 0.0 OUTLIER -131.26 -105.06 0.27 Allowed 'General case' 0 CA--C 1.537 0.444 1 C-N-CA 132.321 4.248 . . . . 0.0 103.907 179.173 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.64 ' H ' ' HD2' ' A' ' 91' ' ' LYS . 56.1 p -119.05 4.13 11.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.451 2.3 . . . . 0.0 112.272 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.79 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.528 0.844 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -158.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 pp -136.86 -5.03 1.94 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.26 2.224 . . . . 0.0 115.299 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.25 0 CA-C-N 120.349 1.431 . . . . 0.0 109.98 172.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.9 p -146.16 -179.79 6.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.005 2.122 . . . . 0.0 110.245 -169.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -53.66 -51.77 62.09 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 121.486 1.948 . . . . 0.0 112.156 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.88 -38.24 64.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' A' ' 95' ' ' LYS . 98.8 mt-10 -76.24 -37.71 57.3 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.216 -0.927 . . . . 0.0 112.945 -177.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.88 77.88 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.971 0.909 . . . . 0.0 110.161 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.42 64.9 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.178 0.591 . . . . 0.0 110.969 164.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HG12 ' A' ' 78' ' ' VAL . 6.7 mtm -63.09 -37.0 85.47 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.71 -52.53 6.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 160.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mtt -61.52 -49.02 78.39 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 115.123 -2.37 . . . . 0.0 113.908 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.281 0.0 OUTLIER -68.82 -34.51 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 124.849 3.477 . . . . 0.0 113.398 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mm -56.71 -44.31 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.313 0.96 . . . . 0.0 109.303 164.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' B' ' 16' ' ' SER . 15.1 t70 -82.04 -3.18 54.0 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.67 -21.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 126.193 1.797 . . . . 0.0 109.782 165.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' B' ' 28' ' ' LEU . 62.4 t80 -84.91 -43.15 14.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.404 1.081 . . . . 0.0 112.158 169.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' B' ' 13' ' ' ASP . 17.0 t -29.64 -55.91 0.16 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 129.752 3.221 . . . . 0.0 114.12 168.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.408 ' HG3' ' H ' ' B' ' 17' ' ' ARG . 19.8 mtp180 -33.62 -46.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.656 1 C-N-CA 132.001 4.121 . . . . 0.0 114.541 171.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -107.78 -54.76 2.45 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.535 1.134 . . . . 0.0 109.624 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.9 p -160.16 22.01 0.16 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -15.93 57.48 Favored Glycine 0 N--CA 1.477 1.413 0 O-C-N 120.262 -1.524 . . . . 0.0 111.601 150.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 70.9 m -61.76 -22.98 65.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.752 2.021 . . . . 0.0 114.08 162.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.88 -163.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.904 1.682 . . . . 0.0 112.3 -165.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.35 47.17 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.798 -1.189 . . . . 0.0 110.21 -164.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.622 ' HB3' HG23 ' B' ' 27' ' ' THR 0.303 3.8 p -61.23 38.21 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 1 C-N-CA 131.743 4.017 . . . . 0.0 118.806 -159.662 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 37.5 p -58.44 -36.91 74.37 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.996 118.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.22 103.39 6.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.484 3.113 . . . . 0.0 105.819 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.622 HG23 ' HB3' ' B' ' 24' ' ' SER . 40.0 p 17.91 140.75 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.073 3 C-N-CA 142.109 8.164 . . . . 0.0 119.852 18.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' B' ' 15' ' ' PHE . 9.9 mp -67.77 77.81 0.2 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 122.78 1.276 . . . . 0.0 107.968 156.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -55.25 144.47 24.55 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 139.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -45.85 -28.45 1.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.186 2.594 . . . . 0.0 113.834 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.36 -25.71 46.52 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.51 1.052 . . . . 0.0 115.008 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -78.24 -50.92 10.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.096 1.448 . . . . 0.0 109.602 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' B' ' 54' ' ' VAL . 10.6 tt -43.6 -35.8 1.88 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 128.005 2.522 . . . . 0.0 114.504 -174.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -66.26 -41.26 90.17 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.46 -37.26 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.202 0.91 . . . . 0.0 110.295 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.481 HD22 HD21 ' B' ' 28' ' ' LEU . 6.0 tp -51.25 -28.33 11.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.763 2.025 . . . . 0.0 112.06 165.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.48 ' HB3' HD21 ' B' ' 45' ' ' LEU . 0.3 OUTLIER -88.39 -22.9 23.52 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.842 -1.786 . . . . 0.0 113.955 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.29 -10.57 52.13 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 112.41 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 -52.87 1.02 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.787 2.435 . . . . 0.0 109.515 -149.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -106.32 -16.49 14.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.424 1.889 . . . . 0.0 112.637 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.68 44.27 1.28 Allowed Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.77 144.24 35.48 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 121.965 1.738 . . . . 0.0 113.806 170.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.03 -21.28 28.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.247 1.403 . . . . 0.0 114.486 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.27 -15.08 60.54 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.764 1.226 . . . . 0.0 110.103 163.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' B' ' 37' ' ' MET . 0.2 OUTLIER -80.78 -1.31 42.43 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.106 2.563 . . . . 0.0 114.168 177.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -27.25 65.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.985 0.514 . . . . 0.0 111.384 160.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 1.3 m -99.64 -53.9 3.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.249 1.419 . . . . 0.0 111.625 165.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.81 6.17 6.26 Favored Glycine 0 CA--C 1.54 1.637 0 N-CA-C 117.842 1.897 . . . . 0.0 117.842 168.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.439 0.0 OUTLIER 111.05 92.52 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 1 C-N-CA 133.937 4.895 . . . . 0.0 110.854 -179.074 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -136.7 12.11 3.17 Favored 'General case' 0 CA--C 1.548 0.88 1 C-N-CA 132.402 4.281 . . . . 0.0 109.245 -177.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 69.14 0.37 2.79 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.164 2.585 . . . . 0.0 114.045 -166.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -115.13 -8.22 12.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.71 1.604 . . . . 0.0 114.267 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -140.86 -176.93 4.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.346 1.458 . . . . 0.0 112.003 154.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' B' ' 33' ' ' LEU . 54.1 t 59.2 -62.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 127.313 2.245 . . . . 0.0 109.529 -155.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.1 -27.19 13.19 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 113.501 167.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -102.82 -3.0 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.535 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.3 mm? -93.57 -0.99 56.01 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.654 0.782 . . . . 0.0 109.478 159.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.08 -78.31 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.818 2.847 . . . . 0.0 108.219 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -41.44 -42.89 2.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.865 3.266 . . . . 0.0 115.537 -169.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.444 ' HB3' ' CD2' ' B' ' 77' ' ' PHE . 0.8 OUTLIER -45.85 -55.82 6.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.698 1.999 . . . . 0.0 112.874 169.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.564 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -94.75 -38.61 10.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.161 2.185 . . . . 0.0 112.98 -173.083 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -37.28 -22.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 131.392 3.877 . . . . 0.0 114.749 162.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.25 -32.48 0.18 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.545 1.538 . . . . 0.0 114.829 158.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -97.5 -12.79 22.21 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.263 1.425 . . . . 0.0 113.402 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.81 20.61 1.0 Allowed Glycine 0 CA--C 1.539 1.566 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -164.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 69.93 -40.47 0.46 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 129.961 3.304 . . . . 0.0 116.199 169.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 167.21 6.2 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 130.794 3.638 . . . . 0.0 113.405 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -128.56 90.47 3.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.858 1.263 . . . . 0.0 109.725 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.64 129.67 35.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 125.9 1.68 . . . . 0.0 112.821 -170.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.95 169.95 10.04 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.722 2.809 . . . . 0.0 112.556 170.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -64.8 -27.42 68.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.36 1.064 . . . . 0.0 113.556 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 65.2 p -62.58 -61.96 2.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.362 0.983 . . . . 0.0 110.647 170.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.07 -50.98 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.661 1.985 . . . . 0.0 110.911 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.405 ' CG ' ' CD1' ' B' ' 15' ' ' PHE . 38.7 t80 -58.45 -61.35 2.65 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 116.832 -1.556 . . . . 0.0 111.756 173.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 tp -56.86 -35.53 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 121.718 2.054 . . . . 0.0 113.198 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -57.32 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.22 1.008 . . . . 0.0 110.308 171.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' B' ' 60' ' ' ASP . 14.4 m-85 -80.36 -16.47 54.46 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.79 -48.53 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 125.219 1.408 . . . . 0.0 108.541 158.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.2 2.58 4.46 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.95 -38.14 9.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 111.491 156.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -40.18 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.711 2.404 . . . . 0.0 110.563 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.541 HG21 HG12 ' A' ' 75' ' ' ILE . 10.2 t -48.75 -43.88 38.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 166.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 39.5 p -71.95 -38.25 69.82 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.506 -0.746 . . . . 0.0 111.159 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.52 61.96 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 10.5 t -53.08 -20.23 3.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.176 2.59 . . . . 0.0 112.739 171.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -42.42 -13.62 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.475 3.51 . . . . 0.0 115.534 173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -43.88 -22.23 0.05 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.526 2.33 . . . . 0.0 115.476 168.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.517 ' HB2' ' HA2' ' B' ' 93' ' ' GLY . 18.5 m-85 -86.34 -29.49 22.94 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.282 1.833 . . . . 0.0 113.93 -178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 48.67 -9.71 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.98 5.7 4.89 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 122.218 2.281 . . . . 0.0 113.961 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 166.25 142.7 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.482 2 C-N-CA 136.736 6.014 . . . . 0.0 99.494 -148.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.278 72.6 p -77.9 69.55 4.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 121.188 1.813 . . . . 0.0 109.343 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . 0.517 ' HA2' ' HB2' ' B' ' 88' ' ' TYR . . . 47.23 -22.62 0.01 OUTLIER Glycine 0 C--N 1.338 0.645 1 C-N-CA 135.466 6.27 . . . . 0.0 120.203 -171.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.2 -1.86 0.19 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.069 1.748 . . . . 0.0 113.984 167.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.66 1.184 . . . . 0.0 114.036 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p -156.78 -174.16 4.8 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.063 2.945 . . . . 0.0 108.756 -162.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -56.61 -51.71 67.62 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 122.15 2.25 . . . . 0.0 111.497 168.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.464 HD13 HG11 ' B' ' 14' ' ' VAL . 5.4 tp -54.36 -56.78 15.1 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.395 1.878 . . . . 0.0 110.889 174.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.17 -23.99 51.52 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.3 -39.47 65.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.375 1.443 . . . . 0.0 111.029 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.0 88.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.653 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtm -64.81 -29.66 70.63 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.04 -33.06 20.94 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 117.764 -1.576 . . . . 0.0 112.815 161.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.7 mtt -75.68 -39.08 58.11 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.131 1.965 . . . . 0.0 112.823 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.256 0.0 OUTLIER -82.48 -29.97 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.745 1.157 . . . . 0.0 113.726 177.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.66 -31.5 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 117.161 -1.4 . . . . 0.0 110.894 162.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.58 -58.16 9.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 121.554 1.979 . . . . 0.0 110.307 165.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -45.42 -41.58 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.974 1.261 . . . . 0.0 111.914 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 28' ' ' LEU . 41.6 t80 -67.02 -54.89 17.36 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 168.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -59.28 0.47 0.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.977 2.511 . . . . 0.0 114.555 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -114.66 -43.71 3.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 131.583 3.953 . . . . 0.0 111.051 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.28 -42.41 10.4 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.1 p -64.68 -30.91 71.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.03 -1.044 . . . . 0.0 111.205 157.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.97 0.75 76.9 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-O 117.907 -1.496 . . . . 0.0 114.799 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.7 m 130.81 -22.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 1 C-N-CA 132.002 4.121 . . . . 0.0 112.213 -174.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.28 152.86 20.86 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -154.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.11 81.4 0.32 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.124 1.821 . . . . 0.0 109.194 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.524 ' H ' HG23 ' A' ' 27' ' ' THR . 48.1 t -164.26 -118.33 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 117.277 0.538 . . . . 0.0 111.596 -134.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -106.8 -4.08 19.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.763 2.425 . . . . 0.0 112.672 157.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -141.64 66.65 1.35 Allowed 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 127.993 2.517 . . . . 0.0 107.016 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 24' ' ' SER . 24.7 p 17.1 126.84 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.123 3 C-N-CA 135.398 5.479 . . . . 0.0 117.361 37.2 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' A' ' 15' ' ' PHE . 6.1 mp -71.43 73.59 0.73 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 166.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.2 147.07 8.12 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 144.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -35.53 -37.3 0.09 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.536 2.735 . . . . 0.0 113.675 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.57 -27.04 48.93 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.541 1.067 . . . . 0.0 115.517 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.8 -52.49 8.27 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.325 1.45 . . . . 0.0 109.265 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tt -44.64 -35.13 2.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.094 2.958 . . . . 0.0 114.347 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -66.14 -41.85 89.89 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -47.88 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 119.933 1.242 . . . . 0.0 109.977 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -39.37 -30.32 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 113.815 161.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.538 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -92.07 -18.32 23.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 120.22 1.373 . . . . 0.0 113.921 -176.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.42 -31.73 72.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.09 1.314 . . . . 0.0 110.084 165.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.76 -64.11 1.19 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 129.697 3.199 . . . . 0.0 112.802 -170.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.74 -11.19 14.0 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.79 1.636 . . . . 0.0 112.069 -164.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.22 36.14 0.3 Allowed Pre-proline 0 CA--C 1.561 1.368 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 166.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.91 145.53 73.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 CA-C-N 122.544 1.944 . . . . 0.0 112.409 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.55 -37.64 3.36 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.661 1.124 . . . . 0.0 112.686 -170.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.57 -21.64 64.48 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.124 1.462 . . . . 0.0 111.287 168.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.9 OUTLIER -78.09 1.21 21.84 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.241 2.216 . . . . 0.0 114.868 177.57 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -58.85 -29.46 66.97 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.172 0.897 . . . . 0.0 111.258 157.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -93.38 -65.73 0.97 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.699 1.199 . . . . 0.0 109.321 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.27 -13.63 19.96 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 162.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.599 ' HG2' ' H ' ' A' ' 50' ' ' ASP 0.271 0.0 OUTLIER -177.14 -84.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.04 2.136 . . . . 0.0 109.938 169.778 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.599 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 2.8 p30 50.11 2.88 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 128.585 2.754 . . . . 0.0 117.89 166.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.351 0.0 OUTLIER 72.54 -8.42 1.22 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.804 3.242 . . . . 0.0 114.446 -170.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -124.55 14.95 8.83 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.206 1.366 . . . . 0.0 114.315 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.25 173.93 11.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.358 1.063 . . . . 0.0 110.671 153.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t 61.28 -64.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.597 1.559 . . . . 0.0 110.447 -164.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -39.31 -37.48 0.44 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 129.194 2.997 . . . . 0.0 113.691 158.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -98.91 -8.7 25.2 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' HD21 ' A' ' 61' ' ' LEU . 3.1 mm? -87.17 3.89 44.62 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.728 0.811 . . . . 0.0 110.012 162.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -111.55 -66.56 1.07 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 130.343 3.457 . . . . 0.0 108.7 172.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -32.68 21.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.026 2.131 . . . . 0.0 115.305 -171.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -50.81 72.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.67 1.988 . . . . 0.0 111.426 172.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.49 -37.46 13.14 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.268 1.827 . . . . 0.0 113.322 -170.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -27.57 -35.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 1 C-N-CA 131.745 4.018 . . . . 0.0 115.004 168.048 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.85 34.16 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.856 1.662 . . . . 0.0 115.114 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -6.31 59.12 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.038 1.735 . . . . 0.0 111.285 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.96 -86.62 0.13 Allowed Glycine 0 C--N 1.342 0.888 0 CA-C-N 119.938 1.245 . . . . 0.0 112.514 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -154.7 -42.63 0.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.536 1.134 . . . . 0.0 113.204 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 162.47 -30.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 130.95 3.7 . . . . 0.0 111.167 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.03 93.74 9.44 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 120.926 -1.109 . . . . 0.0 109.612 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.29 111.57 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.425 1.89 . . . . 0.0 113.492 -170.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.03 168.61 16.71 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 128.919 2.888 . . . . 0.0 113.284 165.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -60.05 -34.95 74.1 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -65.87 -55.16 18.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.395 1.078 . . . . 0.0 110.654 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.14 -49.86 62.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.827 1.251 . . . . 0.0 110.344 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 78' ' ' VAL . 34.8 t80 -57.19 -68.38 0.23 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.87 175.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.4 tp -53.74 -42.84 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 121.129 1.786 . . . . 0.0 113.2 -172.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -54.73 -52.74 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.321 1.048 . . . . 0.0 110.508 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.58 -13.5 56.44 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG12 ' SD ' ' B' ' 8' ' ' MET . 69.1 t -58.68 -50.56 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 121.219 1.827 . . . . 0.0 107.293 165.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -11.76 8.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.89 -43.19 13.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.565 1.075 . . . . 0.0 111.646 161.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.401 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 1.1 mm -50.42 -45.34 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 129.329 3.051 . . . . 0.0 112.071 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 t -46.06 -51.53 13.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.748 0.703 . . . . 0.0 112.039 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -70.74 -51.85 24.64 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.258 1.423 . . . . 0.0 112.022 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 81' ' ' ILE . . . -62.69 -11.04 14.75 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.78 2.032 . . . . 0.0 114.341 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.4 p -51.56 -15.03 0.38 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.459 1.503 . . . . 0.0 113.426 159.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -97.14 -9.16 28.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.147 1.779 . . . . 0.0 113.477 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -52.6 -30.76 32.93 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.092 1.315 . . . . 0.0 112.24 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.55 -22.89 65.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.705 1.602 . . . . 0.0 113.561 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' HA ' ' H ' ' A' ' 93' ' ' GLY 0.272 0.0 OUTLIER 62.53 -42.8 0.18 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.629 2.372 . . . . 0.0 116.119 167.613 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -54.43 -20.94 8.48 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.24 1.416 . . . . 0.0 111.621 156.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -71.41 0.22 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 129.877 3.271 . . . . 0.0 111.466 170.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 t -133.45 -12.72 2.7 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' H ' ' HA ' ' A' ' 89' ' ' PHE . . . -64.07 -15.2 58.11 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 120.029 -1.669 . . . . 0.0 113.59 176.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.77 18.57 8.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.191 1.796 . . . . 0.0 113.679 164.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 126.512 1.925 . . . . 0.0 111.279 173.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.179 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -140.7 -106.14 0.15 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.822 1.249 . . . . 0.0 110.573 -164.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -127.17 -50.25 1.43 Allowed 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 107.281 158.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -50.14 -55.34 15.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.126 1.37 . . . . 0.0 112.262 164.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 60.2 mt-10 -72.43 -29.96 64.18 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.46 -0.775 . . . . 0.0 112.198 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -38.83 66.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.064 0.847 . . . . 0.0 111.668 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -44.68 76.9 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 124.618 1.167 . . . . 0.0 110.139 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.434 ' SD ' HG12 ' A' ' 78' ' ' VAL . 60.8 mtm -63.06 -31.8 73.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 173.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.68 -53.73 3.59 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-O 118.096 -1.391 . . . . 0.0 110.956 157.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mtt -66.14 -39.5 89.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 115.147 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -73.57 -29.51 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.459 1.481 . . . . 0.0 111.963 174.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.27 -24.24 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 118.673 0.67 . . . . 0.0 110.911 163.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -79.53 -34.2 41.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.971 1.709 . . . . 0.0 112.376 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 4' ' ' LEU . 50.7 t -59.72 -27.56 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.702 -1.249 . . . . 0.0 111.069 160.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -85.07 -7.27 59.18 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.052 -1.03 . . . . 0.0 113.351 167.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.7 t -101.82 -3.45 27.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.59 1.556 . . . . 0.0 112.975 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.23 -75.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.84 2.456 . . . . 0.0 109.244 164.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -80.47 -71.0 0.48 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 126.402 1.881 . . . . 0.0 110.442 -170.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -61.53 17.58 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.634 1.974 . . . . 0.0 115.4 161.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.57 -20.52 11.9 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.356 0.979 . . . . 0.0 113.494 162.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -82.75 6.46 18.02 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.509 1.124 . . . . 0.0 113.955 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 101.8 -117.4 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 130.359 3.464 . . . . 0.0 112.962 163.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.76 23.64 12.99 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 128.845 3.116 . . . . 0.0 111.08 174.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -72.66 -33.62 66.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.5 2.72 . . . . 0.0 118.169 -159.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.589 ' H ' HG22 ' B' ' 27' ' ' THR . 10.9 t 124.92 -12.12 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 131.348 3.859 . . . . 0.0 110.242 -139.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 27' ' ' THR . 29.1 mt-30 -141.27 97.28 3.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.291 3.036 . . . . 0.0 103.57 156.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' B' ' 25' ' ' THR . 4.5 t 21.88 132.43 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.109 2 C-N-CA 138.98 6.912 . . . . 0.0 119.25 -7.118 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.05 73.1 0.19 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.054 1.342 . . . . 0.0 110.1 171.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.409 HG23 ' H ' ' B' ' 32' ' ' GLU . 10.0 t -50.64 149.42 3.28 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 139.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -55.15 -28.14 50.66 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.511 1.524 . . . . 0.0 114.014 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.42 -28.12 53.28 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.716 -1.047 . . . . 0.0 114.458 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.409 ' H ' HG23 ' B' ' 29' ' ' THR . 36.7 tp10 -78.46 -48.57 15.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.578 1.551 . . . . 0.0 109.184 171.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG13 ' B' ' 54' ' ' VAL . 9.1 tt -41.34 -46.36 3.27 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 127.838 2.455 . . . . 0.0 113.578 -177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -66.24 -34.62 78.43 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.76 -22.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.857 0.863 . . . . 0.0 111.952 -169.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.6 -32.31 64.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 130.847 3.659 . . . . 0.0 112.139 166.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.44 ' HB2' HD21 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -82.74 -22.68 34.31 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.26 -1.525 . . . . 0.0 113.243 -168.504 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.44 -27.56 67.61 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.701 1.137 . . . . 0.0 111.735 167.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -108.21 -54.59 2.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.128 2.171 . . . . 0.0 110.301 -159.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -113.65 -6.95 13.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.278 1.831 . . . . 0.0 112.471 -168.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -136.1 40.65 0.52 Allowed Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -53.78 141.24 66.02 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.061 1.841 . . . . 0.0 114.131 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.79 -34.82 5.39 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.913 1.721 . . . . 0.0 113.436 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -60.39 -17.96 47.32 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.118 0.959 . . . . 0.0 112.104 162.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' B' ' 37' ' ' MET . 0.3 OUTLIER -94.83 16.53 15.68 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 127.53 2.332 . . . . 0.0 114.373 -177.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -32.83 -30.59 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.694 2.398 . . . . 0.0 115.961 156.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 52.0 m -127.69 1.87 6.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.61 1.964 . . . . 0.0 112.991 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 -55.16 0.08 OUTLIER Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.551 1.072 . . . . 0.0 112.296 -153.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' HB3' ' B' ' 53' ' ' ALA . 5.9 mttt 74.64 138.3 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 130.548 3.539 . . . . 0.0 114.648 167.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -155.64 6.64 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.701 2.0 . . . . 0.0 112.437 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -137.16 -62.65 0.62 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.785 1.634 . . . . 0.0 111.289 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -106.86 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.413 1.885 . . . . 0.0 109.775 173.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . . . -72.87 -171.02 0.79 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.386 1.448 . . . . 0.0 111.691 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.612 HG13 HD22 ' B' ' 33' ' ' LEU . 21.0 t 59.66 -61.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.04 1.736 . . . . 0.0 109.629 -149.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -54.53 -30.33 53.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.087 1.355 . . . . 0.0 112.676 165.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -95.42 -6.17 41.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.374 1.443 . . . . 0.0 114.336 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.463 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.3 mm? -86.09 -1.78 57.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.536 -0.727 . . . . 0.0 109.461 159.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.36 -75.22 0.57 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.649 2.38 . . . . 0.0 108.712 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -39.68 5.53 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.435 3.094 . . . . 0.0 115.348 -169.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -48.03 80.53 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.507 1.523 . . . . 0.0 112.231 174.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -91.02 -44.37 9.36 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.313 1.845 . . . . 0.0 112.456 -174.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -27.34 -35.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.987 1 C-N-CA 132.306 4.243 . . . . 0.0 115.166 165.055 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.75 34.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 0.0 115.506 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -12.13 49.32 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.295 1.438 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.0 -63.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 CA-C-N 120.105 1.32 . . . . 0.0 114.958 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.59 -60.92 0.1 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -168.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.69 -44.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.778 3.631 . . . . 0.0 108.672 -154.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -65.14 84.34 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.613 -0.679 . . . . 0.0 110.744 150.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 61' ' ' LEU . 54.9 t -50.92 106.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 128.613 2.765 . . . . 0.0 111.4 173.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 176.0 7.71 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.707 1.14 . . . . 0.0 113.358 166.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -34.89 69.52 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.701 1.6 . . . . 0.0 113.567 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -68.05 -53.68 23.88 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.202 1.401 . . . . 0.0 110.508 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' B' ' 69' ' ' VAL . 11.0 mt-10 -50.14 -51.12 46.0 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.538 1.535 . . . . 0.0 110.065 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.55 -67.05 0.4 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 117.734 -1.127 . . . . 0.0 112.309 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 tp -53.72 -40.31 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.172 1.351 . . . . 0.0 112.541 -170.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.5 t -56.78 -54.3 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.8 1.24 . . . . 0.0 111.343 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.58 -21.33 38.48 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.5 -48.63 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 124.788 1.235 . . . . 0.0 109.253 163.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -8.9 13.46 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.94 -43.8 10.32 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.141 1.337 . . . . 0.0 111.22 162.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -45.28 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.264 2.225 . . . . 0.0 110.778 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -49.8 -54.35 19.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.674 0.67 . . . . 0.0 112.623 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -79.42 -10.94 59.91 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.7 -55.93 5.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.351 0.978 . . . . 0.0 109.823 163.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m -62.21 -7.88 4.84 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.344 1.458 . . . . 0.0 113.829 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.441 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 35.4 m170 -48.15 -25.97 1.7 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.567 1.53 . . . . 0.0 113.008 162.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -16.8 38.15 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 169.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -157.43 46.95 0.39 Allowed 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 127.264 2.226 . . . . 0.0 112.887 168.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' B' ' 86' ' ' HIS . 1.3 t80 -75.25 -72.5 0.3 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.502 -1.999 . . . . 0.0 112.563 -171.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -63.84 0.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 131.383 3.873 . . . . 0.0 103.687 163.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 mttp 17.62 -85.57 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 130.411 3.484 . . . . 0.0 114.265 144.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.412 ' OG1' ' OXT' ' B' ' 95' ' ' LYS . 0.9 OUTLIER -125.48 21.22 7.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.689 1.196 . . . . 0.0 112.135 171.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.1 -22.73 65.0 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.436 1.017 . . . . 0.0 112.288 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 44.1 tp -122.32 -1.9 9.11 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.575 1.95 . . . . 0.0 112.97 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.412 ' OXT' ' OG1' ' B' ' 92' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 C-N-CA 126.236 1.814 . . . . 0.0 110.629 -177.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 34.6 ttm . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.2 p -158.45 -172.57 3.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.212 3.005 . . . . 0.0 108.536 -160.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.89 -65.05 0.63 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 122.201 2.273 . . . . 0.0 111.85 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.789 HD22 HG22 ' B' ' 11' ' ' ILE . 3.0 tm? -42.21 -54.14 3.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.459 2.704 . . . . 0.0 111.061 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.2 mt-10 -82.65 -26.01 32.55 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.9 -34.39 44.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.539 1.518 . . . . 0.0 111.518 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.3 77.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.449 0.568 . . . . 0.0 109.774 163.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' ' HB ' ' B' ' 82' ' ' THR . 47.4 mtm -63.89 -30.68 71.74 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 169.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.11 -31.71 19.15 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 117.854 -1.525 . . . . 0.0 112.953 161.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 mtt -79.57 -38.76 33.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.196 1.998 . . . . 0.0 113.14 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.42 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -76.66 -30.0 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.516 1.507 . . . . 0.0 112.41 175.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -66.71 -35.48 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.069 159.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 37.3 t70 -63.66 -39.73 95.06 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 121.583 1.992 . . . . 0.0 113.042 172.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 HD13 ' B' ' 4' ' ' LEU . 53.2 t -56.7 -22.96 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 121.039 1.745 . . . . 0.0 112.115 172.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' HD13 ' A' ' 28' ' ' LEU . 32.9 t80 -81.87 -46.11 14.56 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 112.424 165.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.33 -17.62 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.739 2.015 . . . . 0.0 114.913 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.501 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.3 OUTLIER -64.55 -55.6 19.46 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.228 2.211 . . . . 0.0 110.953 162.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -101.35 -55.01 2.64 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.685 1.194 . . . . 0.0 113.366 -161.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -21.96 66.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.508 0.67 . . . . 0.0 110.928 162.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.34 38.26 Favored Glycine 0 CA--C 1.535 1.304 0 O-C-N 120.752 -1.218 . . . . 0.0 114.19 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m 132.85 -22.66 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 1 C-N-CA 131.96 4.104 . . . . 0.0 112.213 -167.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.93 158.69 15.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -158.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.02 77.58 0.39 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 127.635 2.54 . . . . 0.0 109.64 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.882 ' H ' HG23 ' A' ' 27' ' ' THR . 8.1 t -156.01 -136.83 0.06 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -134.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 t -82.58 -9.75 59.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.19 1.396 . . . . 0.0 113.343 149.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' H ' ' HB3' ' A' ' 24' ' ' SER . 34.6 mt-30 -142.24 78.18 1.61 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.383 3.073 . . . . 0.0 108.678 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.882 HG23 ' H ' ' A' ' 24' ' ' SER . 52.9 p 29.87 128.96 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 3 C-N-CA 137.694 6.398 . . . . 0.0 118.664 17.572 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.9 mp -65.87 73.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.333 1.453 . . . . 0.0 110.763 164.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -54.72 152.85 6.56 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.099 0.959 . . . . 0.0 108.464 148.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -45.4 -38.01 5.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.846 2.058 . . . . 0.0 114.324 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.66 -24.46 58.39 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.374 0.988 . . . . 0.0 114.993 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.55 -42.73 16.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.694 1.247 . . . . 0.0 110.363 171.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -49.08 -45.09 42.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.977 1.711 . . . . 0.0 110.89 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CB ' ' HZ2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -70.52 -41.09 73.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 m -68.84 -17.91 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 120.029 1.286 . . . . 0.0 113.588 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.43 -39.41 62.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.541 3.137 . . . . 0.0 112.377 165.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.456 ' CB ' HD21 ' A' ' 45' ' ' LEU . 1.2 mmm -78.73 -26.6 44.72 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -164.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.56 -33.86 70.4 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 120.888 1.677 . . . . 0.0 110.764 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -89.1 -50.13 6.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.693 2.397 . . . . 0.0 110.249 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -122.53 -1.78 9.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.73 1.212 . . . . 0.0 114.061 -164.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.68 40.48 0.43 Allowed Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 124.57 1.148 . . . . 0.0 113.862 164.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.73 140.57 84.64 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.0 1.8 . . . . 0.0 111.904 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.71 8.3 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.9 1.238 . . . . 0.0 113.097 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -69.33 -11.97 61.26 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.082 1.441 . . . . 0.0 111.406 163.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -92.8 13.02 21.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.205 1.802 . . . . 0.0 114.269 -177.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -53.88 -31.87 51.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.466 0.575 . . . . 0.0 111.786 161.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.12 -54.71 2.73 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.815 1.646 . . . . 0.0 111.821 166.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.58 33.3 81.36 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.471 0.558 . . . . 0.0 113.939 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 -158.46 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -152.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.18 -32.17 1.08 Allowed 'General case' 0 CA--C 1.558 1.276 1 C-N-CA 132.681 4.392 . . . . 0.0 109.688 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -108.79 -9.2 15.22 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.45 -176.03 5.23 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.913 1.685 . . . . 0.0 111.643 173.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 47.56 -69.2 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 129.852 3.261 . . . . 0.0 116.819 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.97 -46.8 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.526 1.13 . . . . 0.0 109.908 160.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.84 -27.52 64.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.49 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -90.55 -15.6 30.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.725 1.148 . . . . 0.0 112.973 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -60.95 -73.08 0.1 Allowed 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 143.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.09 -64.3 0.47 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.394 1.078 . . . . 0.0 112.56 -169.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.7 42.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.279 2.231 . . . . 0.0 115.649 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -48.35 11.37 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 124.587 1.179 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD12 HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -72.36 -41.2 66.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.698 0.799 . . . . 0.0 111.535 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.6 -39.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.976 3.71 . . . . 0.0 114.905 169.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.9 45.49 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.06 -10.68 46.53 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -150.51 -70.04 0.01 OUTLIER Glycine 0 N--CA 1.47 0.96 0 CA-C-N 121.078 1.763 . . . . 0.0 115.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -147.76 -64.06 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 146.24 -51.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.268 3.427 . . . . 0.0 107.959 -155.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -67.68 97.25 0.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.565 0.746 . . . . 0.0 109.77 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 61' ' ' LEU . 4.9 t -72.06 114.47 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.77 2.028 . . . . 0.0 112.85 -171.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.51 168.46 10.91 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.778 2.831 . . . . 0.0 113.633 164.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -62.94 -32.75 74.12 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.767 -1.208 . . . . 0.0 112.41 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.9 p -63.95 -54.41 34.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.103 0.865 . . . . 0.0 110.513 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HB2' HG13 ' A' ' 69' ' ' VAL . 26.3 mt-10 -48.29 -53.06 18.61 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 126.117 1.767 . . . . 0.0 110.399 173.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.55 -64.83 0.8 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.093 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' B' ' 82' ' ' THR . 8.4 tp -56.25 -37.69 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.169 1.349 . . . . 0.0 112.989 -170.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.3 -50.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.481 1.112 . . . . 0.0 111.194 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.406 ' CB ' HD22 ' A' ' 61' ' ' LEU . 8.7 m-85 -79.54 -22.34 43.99 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' SD ' ' B' ' 8' ' ' MET . 39.7 t -55.72 -47.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.317 1.047 . . . . 0.0 108.809 165.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 82' ' ' THR . . . -62.33 -9.69 8.88 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 168.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.91 -36.97 13.84 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.323 1.419 . . . . 0.0 111.897 163.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mm -57.44 -43.52 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.908 1.683 . . . . 0.0 110.443 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 HG12 ' B' ' 75' ' ' ILE . 10.1 t -60.97 -21.26 63.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 117.188 -1.387 . . . . 0.0 114.499 170.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 p -74.47 -37.86 63.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 121.288 1.858 . . . . 0.0 110.674 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.98 -27.33 68.78 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.623 1.169 . . . . 0.0 112.798 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.7 p -93.18 -37.83 11.89 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.49 -21.64 62.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.386 1.448 . . . . 0.0 112.285 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.96 70.84 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.824 1.65 . . . . 0.0 110.98 150.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 42.05 79.27 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 129.217 3.007 . . . . 0.0 116.399 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.23 -171.17 1.88 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.79 2.036 . . . . 0.0 109.939 157.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.62 -13.55 0.25 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.451 1.101 . . . . 0.0 113.667 162.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.62 -114.43 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 130.832 3.653 . . . . 0.0 110.173 152.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.286 0.3 OUTLIER -82.43 1.23 38.43 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.557 -1.964 . . . . 0.0 115.893 -171.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.5 -11.05 46.47 Favored Glycine 0 CA--C 1.536 1.371 0 O-C-N 121.105 -0.997 . . . . 0.0 113.341 154.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.3 tp -129.73 -55.25 1.14 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.995 1.318 . . . . 0.0 111.699 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.395 0 C-N-CA 126.0 1.72 . . . . 0.0 111.942 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.26 173.27 8.87 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.747 1.619 . . . . 0.0 110.36 173.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.501 ' CD ' HH22 ' A' ' 17' ' ' ARG . 31.4 tt0 -67.09 -39.2 86.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.652 2.024 . . . . 0.0 111.89 172.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 14' ' ' VAL . 1.8 tp -48.51 -61.42 2.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.776 1.274 . . . . 0.0 110.646 171.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.96 -35.01 76.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.713 1.605 . . . . 0.0 112.546 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.95 -36.04 49.67 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.957 -1.089 . . . . 0.0 112.903 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.19 96.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.262 0.937 . . . . 0.0 109.544 168.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.458 ' SD ' HG12 ' A' ' 78' ' ' VAL . 69.0 mtm -60.48 -37.91 82.56 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 167.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.5 -9.31 3.31 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 117.515 -1.714 . . . . 0.0 115.64 163.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.0 mtt -95.86 -43.78 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.279 2.039 . . . . 0.0 112.002 167.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.789 HG22 HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -71.42 -42.24 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 121.256 1.844 . . . . 0.0 112.685 175.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -52.77 -25.7 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.132 0.878 . . . . 0.0 110.677 163.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.53 -11.28 43.29 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 116.285 1.958 . . . . 0.0 116.285 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' B' ' 36' ' ' LEU . 58.6 t -65.95 -40.86 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 108.94 155.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.59 -26.93 67.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 166.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -75.27 -6.33 49.25 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.65 -59.19 2.88 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 121.664 2.029 . . . . 0.0 110.124 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.59 -69.61 0.73 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.112 1.765 . . . . 0.0 110.385 -165.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -63.35 30.53 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.238 2.615 . . . . 0.0 113.534 162.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.76 29.69 0.74 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 128.601 3.001 . . . . 0.0 116.825 -158.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -165.12 -19.06 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.794 1.237 . . . . 0.0 113.587 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.437 ' OE1' ' OG ' ' B' ' 24' ' ' SER . 62.6 mt-10 -152.17 176.17 11.83 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 120.648 1.567 . . . . 0.0 115.039 -161.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.825 ' HA2' HG23 ' B' ' 27' ' ' THR . . . -127.04 112.89 1.63 Allowed Glycine 0 CA--C 1.532 1.136 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 158.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.437 ' OG ' ' OE1' ' B' ' 22' ' ' GLU . 38.5 t -169.6 -139.88 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.116 0.484 . . . . 0.0 111.95 -128.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -82.02 -16.23 50.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.627 1.571 . . . . 0.0 112.634 145.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 27' ' ' THR . 46.0 mt-30 -140.09 88.86 2.25 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 128.147 2.579 . . . . 0.0 111.065 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.825 HG23 ' HA2' ' B' ' 23' ' ' GLY . 5.3 p 33.2 126.0 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 3 C-N-CA 138.175 6.59 . . . . 0.0 119.223 3.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.21 82.36 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.334 1.053 . . . . 0.0 111.157 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -61.63 154.69 24.41 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 122.053 0.93 . . . . 0.0 109.304 147.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' B' ' 50' ' ' ASP . 51.9 tttt -59.59 -23.76 63.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.401 1.88 . . . . 0.0 114.54 -172.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.8 -36.24 19.71 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.175 0.893 . . . . 0.0 113.568 173.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.55 -49.48 53.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.75 1.22 . . . . 0.0 110.418 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -43.79 -40.05 4.15 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 126.665 1.986 . . . . 0.0 112.912 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -64.39 -57.07 10.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.763 2.425 . . . . 0.0 112.649 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.63 -19.35 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.896 1.679 . . . . 0.0 112.682 -174.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' B' ' 14' ' ' VAL . 48.6 tp -76.95 -41.61 42.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.773 2.429 . . . . 0.0 112.68 172.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt -71.69 -30.86 66.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.54 0.736 . . . . 0.0 112.462 -167.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -53.52 -35.66 60.92 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.762 1.625 . . . . 0.0 112.006 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -97.67 -50.39 4.49 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 126.706 2.002 . . . . 0.0 110.324 -167.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -116.76 -5.02 11.58 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -166.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.02 28.29 0.16 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -46.39 132.33 15.61 Favored 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 122.849 2.366 . . . . 0.0 116.303 -174.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.23 -20.41 16.42 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.968 2.223 . . . . 0.0 114.275 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' B' ' 87' ' ' LYS . 30.9 m-85 -69.1 -14.72 63.17 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.945 1.872 . . . . 0.0 111.93 156.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -0.47 4.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.426 3.09 . . . . 0.0 113.264 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -50.4 -27.5 6.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.899 0.88 . . . . 0.0 112.443 153.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.418 ' OG ' ' OD1' ' B' ' 52' ' ' ASP . 30.9 m -102.32 -66.2 0.94 Allowed 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 126.227 1.811 . . . . 0.0 109.935 165.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.18 14.61 26.37 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.393 0.996 . . . . 0.0 113.894 -167.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -95.1 -93.2 0.19 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-O 117.376 -1.297 . . . . 0.0 113.587 -142.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.418 ' HA ' ' HE3' ' B' ' 30' ' ' LYS . 11.3 t0 134.31 -36.78 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.671 3.188 . . . . 0.0 110.338 -153.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -101.43 -10.78 19.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' OG ' ' B' ' 47' ' ' SER . 0.4 OUTLIER -135.26 -84.69 0.4 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 116.912 -1.518 . . . . 0.0 109.933 167.4 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' H ' ' B' ' 56' ' ' LYS . . . -93.08 -168.85 2.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.662 1.574 . . . . 0.0 111.205 165.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.78 -53.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.908 1.683 . . . . 0.0 110.086 -144.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.46 -35.19 67.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.155 1.382 . . . . 0.0 113.53 166.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.406 ' H ' ' HA ' ' B' ' 53' ' ' ALA . 29.3 mmtm -87.4 -3.82 59.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.35 1.432 . . . . 0.0 114.473 172.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.13 -4.7 58.21 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.552 -0.717 . . . . 0.0 110.565 159.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.33 -75.14 0.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.906 1.682 . . . . 0.0 109.453 165.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -41.51 4.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 130.384 3.474 . . . . 0.0 114.974 -166.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.84 -48.93 79.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.146 1.778 . . . . 0.0 111.864 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.612 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -85.26 -45.78 11.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.773 1.629 . . . . 0.0 112.281 -178.231 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -30.35 -34.63 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 131.961 4.104 . . . . 0.0 115.058 168.048 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.26 -23.55 9.17 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.505 1.522 . . . . 0.0 115.076 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.75 0.05 57.35 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 126.581 1.952 . . . . 0.0 111.153 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -142.26 -89.06 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.912 1.244 . . . . 0.0 112.772 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.22 -39.86 0.07 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.029 1.332 . . . . 0.0 112.717 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 166.31 -32.39 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 130.994 3.718 . . . . 0.0 110.608 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -85.83 95.54 9.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.09 -1.006 . . . . 0.0 109.55 170.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 73' ' ' GLU . 34.6 t -63.51 111.32 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 126.947 2.099 . . . . 0.0 112.144 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.12 167.23 16.53 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 127.675 2.39 . . . . 0.0 113.127 163.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -59.41 -33.51 71.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.636 1.174 . . . . 0.0 112.51 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -64.73 -56.78 11.54 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.239 1.015 . . . . 0.0 110.948 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.451 ' HB2' HG13 ' B' ' 69' ' ' VAL . 5.1 mt-10 -49.07 -54.06 17.66 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.043 1.737 . . . . 0.0 110.78 174.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' B' ' 78' ' ' VAL . 38.1 t80 -50.05 -66.09 0.45 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.849 1.659 . . . . 0.0 110.781 173.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.505 HG12 HG21 ' A' ' 82' ' ' THR . 8.2 tp -64.09 -36.28 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.641 1.11 . . . . 0.0 112.591 -166.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.72 -52.05 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.511 1.124 . . . . 0.0 110.605 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -80.99 -20.53 41.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' B' ' 74' ' ' PHE . 25.2 t -56.53 -47.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 124.637 1.175 . . . . 0.0 108.667 163.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -1.31 1.82 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 168.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.78 -40.26 9.44 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.997 1.271 . . . . 0.0 111.673 158.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mm -54.22 -35.97 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.898 2.079 . . . . 0.0 111.634 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.445 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 10.9 t -53.66 -49.06 68.76 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.057 0.844 . . . . 0.0 112.833 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 42.8 p -61.25 -32.42 72.23 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.404 -0.81 . . . . 0.0 112.217 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.1 51.96 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.094 1.358 . . . . 0.0 114.076 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 35.4 t -59.88 -22.25 62.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.487 1.494 . . . . 0.0 114.161 -168.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -62.47 -38.24 89.06 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.63 1.572 . . . . 0.0 113.948 169.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' B' ' 44' ' ' PHE . 24.1 mmtp 54.39 -45.62 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 130.942 3.697 . . . . 0.0 115.023 -169.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -140.51 -4.11 1.28 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.71 2.004 . . . . 0.0 114.272 171.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 25.3 t80 69.94 -53.8 0.62 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.187 1.795 . . . . 0.0 114.256 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.56 -18.48 52.85 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.773 1.229 . . . . 0.0 111.904 165.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 -18.88 21.12 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 168.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 9.3 m -170.22 92.6 0.21 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.191 1.796 . . . . 0.0 109.527 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.01 -68.55 0.31 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 124.175 0.893 . . . . 0.0 111.44 -168.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 56.4 tp -79.53 -38.63 33.8 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 117.121 0.46 . . . . 0.0 110.666 163.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.338 0 CA-C-O 116.053 -1.927 . . . . 0.0 109.05 164.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.983 0.42 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 p -70.66 178.74 2.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.389 1.876 . . . . 0.0 111.249 162.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.69 -47.48 70.44 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.662 -1.274 . . . . 0.0 112.338 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -60.66 3.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.568 1.547 . . . . 0.0 110.426 172.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.07 -30.05 70.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 116.988 -1.482 . . . . 0.0 112.873 -172.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.96 -24.74 28.19 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.54 2.336 . . . . 0.0 112.832 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.75 96.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.752 1.16 . . . . 0.0 109.821 158.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.427 ' SD ' HG12 ' B' ' 78' ' ' VAL . 28.9 mtt -70.44 -20.87 62.87 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 167.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -46.78 88.13 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.817 1.675 . . . . 0.0 111.452 168.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.45 -21.92 59.36 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.093 1.446 . . . . 0.0 113.291 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.4 -54.22 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.836 -1.165 . . . . 0.0 110.847 160.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -58.24 -21.65 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.032 0.933 . . . . 0.0 110.824 171.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -79.86 -33.06 40.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.36 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -67.45 -29.68 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 122.165 2.257 . . . . 0.0 110.643 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 58.5 t80 -63.87 -51.71 63.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 111.834 160.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -70.15 2.84 3.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.06 1.344 . . . . 0.0 114.248 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -54.75 5.68 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.434 2.293 . . . . 0.0 110.138 159.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -91.18 -48.51 6.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.237 1.415 . . . . 0.0 113.359 -168.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.19 93.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.685 158.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.36 68.09 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 118.784 -1.009 . . . . 0.0 114.207 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 m 120.96 -21.74 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 1 C-N-CA 132.626 4.37 . . . . 0.0 110.884 -171.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 147.38 35.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.955 2.102 . . . . 0.0 113.429 -169.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' HA2' HG23 ' A' ' 27' ' ' THR . . . -131.61 81.86 0.32 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 127.412 2.434 . . . . 0.0 108.557 171.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 t -160.55 -78.94 0.05 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 122.535 1.16 . . . . 0.0 111.641 -143.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 p -139.47 -51.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 130.339 3.456 . . . . 0.0 106.161 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' THR . 40.3 mt-30 -103.67 89.73 3.43 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.604 2.362 . . . . 0.0 108.461 160.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.527 HG23 ' HA2' ' A' ' 23' ' ' GLY . 19.3 p 30.25 136.4 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 3 C-N-CA 140.125 7.37 . . . . 0.0 117.524 15.049 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 72.99 3.72 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.345 1.069 . . . . 0.0 108.887 170.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -52.33 148.57 6.49 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.619 149.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -32.07 -41.21 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 129.371 3.069 . . . . 0.0 115.76 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.21 -25.66 25.81 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.585 0.994 . . . . 0.0 115.585 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -74.2 -43.94 55.23 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.878 1.339 . . . . 0.0 109.452 170.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD22 HG13 ' A' ' 54' ' ' VAL . 6.0 tt -49.56 -44.52 46.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.082 2.153 . . . . 0.0 113.343 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -37.73 76.6 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.11 -47.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.963 0.801 . . . . 0.0 109.939 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.2 -29.69 9.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.125 1.77 . . . . 0.0 112.881 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.455 ' HG3' HD23 ' A' ' 33' ' ' LEU . 5.6 mmt -85.56 -16.3 39.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.145 -1.597 . . . . 0.0 112.738 -178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -32.4 73.94 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.756 1.162 . . . . 0.0 110.847 162.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 39' ' ' LYS . 1.7 mmmp? -86.67 -59.23 2.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.674 2.39 . . . . 0.0 110.944 -174.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.56 -40.89 14.77 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.189 1.395 . . . . 0.0 114.48 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.79 47.77 2.46 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.159 1.384 . . . . 0.0 113.225 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -41.47 -37.53 3.45 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.765 2.976 . . . . 0.0 117.813 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 -14.89 81.91 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 120.039 1.291 . . . . 0.0 115.351 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.88 -17.07 62.14 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.798 -1.413 . . . . 0.0 111.39 168.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.84 0.32 13.6 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.37 -26.46 52.97 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.475 0.579 . . . . 0.0 112.317 156.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -85.21 -72.49 0.48 Allowed 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.043 0.537 . . . . 0.0 109.996 156.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.05 3.16 3.26 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.917 1.246 . . . . 0.0 115.202 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -132.45 98.34 4.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 126.902 2.081 . . . . 0.0 109.586 -156.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.72 13.35 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 1 C-N-CA 132.343 4.257 . . . . 0.0 117.485 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -106.26 -13.73 15.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.935 2.094 . . . . 0.0 112.257 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -121.7 -94.61 0.5 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.791 1.237 . . . . 0.0 110.807 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.06 -164.26 0.72 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.177 1.353 . . . . 0.0 110.325 160.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 33' ' ' LEU . 53.4 t 62.56 -54.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 126.2 1.8 . . . . 0.0 110.239 -158.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -51.72 -33.63 35.39 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.729 2.012 . . . . 0.0 113.478 160.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -89.68 -4.15 57.89 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.99 -2.91 56.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.209 -0.932 . . . . 0.0 109.872 164.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.266 3.3 tt -96.19 -81.07 0.42 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.941 2.896 . . . . 0.0 106.594 165.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -41.88 -55.59 3.03 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.784 1.634 . . . . 0.0 114.621 -166.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -42.85 43.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.605 1.962 . . . . 0.0 113.097 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.37 -40.29 11.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.988 1.315 . . . . 0.0 112.5 176.451 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -7.3 1.58 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.341 1.456 . . . . 0.0 113.85 175.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.88 -23.59 2.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.386 1.074 . . . . 0.0 113.754 160.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.96 -17.65 49.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.645 1.178 . . . . 0.0 113.676 170.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.06 -96.22 0.66 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 126.539 2.018 . . . . 0.0 112.969 -169.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -157.64 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.768 1.227 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.39 31.03 1.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.997 2.519 . . . . 0.0 110.535 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -141.71 99.23 3.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.24 2.216 . . . . 0.0 109.511 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.1 t -66.56 118.0 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.165 1.386 . . . . 0.0 112.762 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.86 166.81 22.84 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.443 1.897 . . . . 0.0 113.056 164.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.82 -34.07 73.98 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.617 1.167 . . . . 0.0 113.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 p -63.35 -57.42 10.42 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.754 1.222 . . . . 0.0 110.594 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 4.3 mt-10 -49.15 -51.45 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 130.502 3.521 . . . . 0.0 110.397 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 15' ' ' PHE . 43.3 t80 -50.0 -67.5 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.802 1.241 . . . . 0.0 111.796 166.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.29 -38.28 73.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 120.239 1.381 . . . . 0.0 112.73 -169.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.66 -55.77 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.762 1.225 . . . . 0.0 110.628 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -76.42 -27.26 56.19 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.57 -45.29 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.418 1.087 . . . . 0.0 110.556 167.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.94 -2.85 16.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.63 13.54 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.441 1.019 . . . . 0.0 111.91 157.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.9 mm -55.98 -42.4 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.004 1.322 . . . . 0.0 111.434 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.418 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 11.8 t -57.15 -10.87 1.35 Allowed 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 171.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 m -106.52 -49.43 3.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.147 1.379 . . . . 0.0 109.324 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.04 -49.87 62.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.268 1.427 . . . . 0.0 112.715 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.3 m -74.91 -6.6 50.08 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.998 2.119 . . . . 0.0 115.26 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -115.2 1.95 13.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -157.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.514 ' HB2' HG21 ' A' ' 92' ' ' THR . 7.5 mttp -70.05 11.45 0.3 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.626 1.17 . . . . 0.0 113.356 167.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.395 13.4 m-85 141.63 0.4 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 1 C-N-CA 134.179 4.992 . . . . 0.0 115.977 157.382 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.5 t80 67.15 143.73 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.475 2.31 . . . . 0.0 115.029 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 53.74 -74.81 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.156 1.783 . . . . 0.0 111.625 -160.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -26.37 -52.25 0.05 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 129.077 2.951 . . . . 0.0 110.319 154.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.527 HG23 ' C ' ' A' ' 95' ' ' LYS . 28.9 m -134.04 63.96 1.61 Allowed 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 124.515 1.126 . . . . 0.0 110.232 165.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.08 64.38 4.25 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 117.822 -1.543 . . . . 0.0 109.913 161.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 tp 119.19 -54.49 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 131.433 3.893 . . . . 0.0 110.522 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' HG23 ' A' ' 92' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.299 0 C-N-CA 128.784 2.834 . . . . 0.0 113.006 -164.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.7 p -142.79 -86.8 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 112.765 -156.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.39 -66.55 0.24 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.744 3.618 . . . . 0.0 104.693 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.8 -56.46 19.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.396 2.279 . . . . 0.0 112.15 161.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -75.34 -24.39 57.34 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.295 -0.878 . . . . 0.0 111.657 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.23 65.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.953 -0.546 . . . . 0.0 111.545 172.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.08 92.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.835 0.854 . . . . 0.0 111.212 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.418 ' SD ' ' HB ' ' A' ' 82' ' ' THR . 54.8 mtm -60.48 -36.62 78.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.527 1.058 . . . . 0.0 112.875 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.23 -0.93 0.22 Allowed Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.903 1.716 . . . . 0.0 116.337 162.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 34.9 mtp -106.48 -41.15 5.36 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.206 2.003 . . . . 0.0 111.901 168.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.8 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.974 1.261 . . . . 0.0 112.336 174.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.33 -27.29 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.633 0.773 . . . . 0.0 110.834 163.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -103.26 6.74 38.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.815 1.646 . . . . 0.0 114.271 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.08 -28.18 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 120.552 -1.342 . . . . 0.0 110.231 152.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' B' ' 28' ' ' LEU . 53.2 t80 -70.74 -41.43 71.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.246 1.418 . . . . 0.0 113.435 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.4 t -62.58 14.53 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.991 2.116 . . . . 0.0 114.806 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -60.9 1.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.7 2.4 . . . . 0.0 108.507 165.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -75.93 -76.63 0.15 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.11 2.164 . . . . 0.0 111.314 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.455 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 29.1 t -75.85 7.26 4.09 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.359 0.663 . . . . 0.0 112.637 167.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -22.93 3.9 Favored Glycine 0 CA--C 1.541 1.694 0 O-C-N 120.865 -1.147 . . . . 0.0 113.645 144.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -73.78 4.39 5.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.732 2.013 . . . . 0.0 113.862 168.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 23' ' ' GLY 0.34 6.8 tm-20 100.24 -148.34 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 131.068 3.747 . . . . 0.0 111.933 164.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.635 ' HA2' HG23 ' B' ' 27' ' ' THR . . . -117.74 69.55 0.31 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 128.099 2.761 . . . . 0.0 109.676 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -142.92 -31.77 0.49 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -117.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t 125.85 -41.58 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 130.5 3.52 . . . . 0.0 106.953 -150.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' B' ' 27' ' ' THR . 39.3 mt-30 -130.68 83.9 2.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.995 2.518 . . . . 0.0 107.673 169.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.635 HG23 ' HA2' ' B' ' 23' ' ' GLY . 16.6 p 28.93 132.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 3 C-N-CA 138.837 6.855 . . . . 0.0 118.119 21.111 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' B' ' 15' ' ' PHE . 10.3 mp -68.46 73.71 0.23 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.667 1.222 . . . . 0.0 111.313 168.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -56.7 148.62 19.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.431 1.492 . . . . 0.0 108.627 146.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -50.62 -29.86 11.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.149 2.179 . . . . 0.0 113.999 -174.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.16 -26.82 32.69 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.256 1.408 . . . . 0.0 115.256 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -75.31 -46.64 32.16 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.996 1.398 . . . . 0.0 109.407 167.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.42 HD22 HG13 ' B' ' 54' ' ' VAL . 7.5 tt -49.42 -50.45 40.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.792 2.037 . . . . 0.0 112.166 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -57.45 -50.59 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.75 -22.16 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.3 -37.13 66.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.85 2.06 . . . . 0.0 111.717 171.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.591 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.1 mmt -72.15 -19.29 61.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.067 0.947 . . . . 0.0 112.545 -174.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -61.18 -23.96 65.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 112.745 164.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -109.01 -54.6 2.51 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.991 1.716 . . . . 0.0 109.598 -167.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.438 ' CB ' HD12 ' B' ' 41' ' ' LEU . 85.5 mt-10 -83.24 -31.26 27.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' SD ' ' B' ' 37' ' ' MET . 6.6 mp -127.05 30.32 0.19 Allowed Pre-proline 0 CA--C 1.565 1.526 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -171.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -49.43 120.95 6.33 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 123.08 2.136 . . . . 0.0 112.766 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.7 -33.96 4.57 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.652 1.596 . . . . 0.0 113.042 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.571 ' CD2' HD23 ' B' ' 41' ' ' LEU . 8.0 m-85 -70.85 -20.53 62.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.009 1.905 . . . . 0.0 112.113 163.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 1.41 1.73 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.026 1.73 . . . . 0.0 114.62 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -26.13 27.09 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.702 -0.624 . . . . 0.0 111.206 156.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -75.36 -70.63 0.41 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.832 1.653 . . . . 0.0 111.888 160.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.92 2.17 44.42 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.404 2.906 . . . . 0.0 114.876 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.48 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 5.7 ttpm? -161.49 111.96 1.67 Allowed 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 124.77 1.228 . . . . 0.0 108.686 -148.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.3 45.11 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 129.902 3.281 . . . . 0.0 115.009 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.58 -12.63 2.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.73 2.412 . . . . 0.0 113.593 174.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -123.34 -79.67 0.62 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.742 1.156 . . . . 0.0 110.646 166.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.7 -156.12 0.54 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.058 0.943 . . . . 0.0 110.122 160.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.42 HG13 HD22 ' B' ' 33' ' ' LEU . 74.6 t 59.9 -57.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.851 1.66 . . . . 0.0 109.778 -148.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -47.58 -32.13 5.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.496 2.319 . . . . 0.0 113.881 161.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -96.14 -9.89 29.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.447 ' O ' HD21 ' B' ' 61' ' ' LEU . 3.8 mm? -81.44 -0.32 41.09 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.535 -0.728 . . . . 0.0 110.508 159.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tt -103.45 -71.26 0.73 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.157 2.583 . . . . 0.0 108.587 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -28.3 8.85 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.239 2.216 . . . . 0.0 116.167 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.04 -49.08 63.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.244 1.018 . . . . 0.0 111.906 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.552 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -86.88 -38.85 16.36 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.687 1.595 . . . . 0.0 112.774 -173.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -25.45 -33.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.838 1 C-N-CA 132.246 4.218 . . . . 0.0 116.178 166.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.51 31.64 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.162 1.785 . . . . 0.0 115.329 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -22.14 30.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.485 1.114 . . . . 0.0 112.158 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.56 -67.2 0.05 OUTLIER Glycine 0 CA--C 1.527 0.796 0 CA-C-N 120.067 1.303 . . . . 0.0 114.037 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -157.67 -62.0 0.09 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.659 0.784 . . . . 0.0 112.752 -170.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.02 -54.22 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 130.005 3.322 . . . . 0.0 107.836 -157.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.19 97.47 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.729 -0.607 . . . . 0.0 109.659 158.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.48 124.56 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.778 1.631 . . . . 0.0 113.559 -168.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 169.42 17.88 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.05 1.74 . . . . 0.0 113.797 164.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -61.26 -29.74 70.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 113.182 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -65.46 -56.35 12.93 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.5 1.92 . . . . 0.0 110.118 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.04 -50.28 67.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.144 0.978 . . . . 0.0 110.563 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' B' ' 15' ' ' PHE . 35.3 t80 -51.18 -65.91 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.866 1.266 . . . . 0.0 111.921 173.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.9 -38.73 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.325 0.966 . . . . 0.0 111.928 -169.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.41 -39.0 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.116 1.366 . . . . 0.0 112.2 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -95.19 -19.61 19.92 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG12 ' SD ' ' A' ' 8' ' ' MET . 59.5 t -55.01 -34.69 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 119.555 1.071 . . . . 0.0 110.669 165.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.56 65.43 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 169.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.3 -51.13 5.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.556 1.071 . . . . 0.0 109.923 165.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -46.13 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 128.943 2.897 . . . . 0.0 112.665 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -50.29 -28.3 7.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.702 1.601 . . . . 0.0 113.96 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -99.03 -46.04 5.73 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.536 0.735 . . . . 0.0 111.705 166.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.14 76.15 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -165.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 89.5 p -57.33 -35.18 69.58 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 120.65 1.568 . . . . 0.0 113.754 -173.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.417 ' C ' ' H ' ' B' ' 88' ' ' TYR . 51.5 m80 -53.47 -36.2 61.38 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.757 2.023 . . . . 0.0 112.333 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 mttp 54.99 -19.81 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 130.302 3.441 . . . . 0.0 116.285 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.417 ' H ' ' C ' ' B' ' 86' ' ' HIS . 0.3 OUTLIER -177.27 -2.44 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.112 1 C-N-CA 133.317 4.647 . . . . 0.0 112.733 164.299 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER 72.96 -44.26 0.59 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.47 2.708 . . . . 0.0 113.513 177.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.22 -9.35 31.29 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 158.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -82.7 -36.53 25.8 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.42 1.488 . . . . 0.0 114.625 169.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.24 -31.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.5 -21.23 77.55 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.269 1.414 . . . . 0.0 115.593 -173.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.19 -21.98 4.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.916 1.358 . . . . 0.0 114.193 173.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 128.721 2.809 . . . . 0.0 108.372 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 46.7 ttp . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.2 p -151.55 -172.27 4.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.295 2.638 . . . . 0.0 108.944 -165.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -56.15 -48.92 75.35 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 121.239 1.836 . . . . 0.0 111.309 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 HG22 ' B' ' 78' ' ' VAL . 7.0 tt -61.51 -53.48 55.79 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 128.027 2.531 . . . . 0.0 112.208 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 59.1 mt-10 -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.28 74.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 120.433 1.47 . . . . 0.0 110.993 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.67 84.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.101 0.41 . . . . 0.0 110.804 167.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.22 -32.56 73.24 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.46 -29.19 16.64 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.163 -1.354 . . . . 0.0 112.927 165.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtt -83.96 -31.01 25.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.691 1.746 . . . . 0.0 113.405 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -39.67 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 120.648 1.567 . . . . 0.0 111.186 168.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.9 mm -57.04 -31.94 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.332 164.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.87 -49.78 66.87 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.858 -1.544 . . . . 0.0 111.884 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.09 -30.05 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.554 2.434 . . . . 0.0 112.8 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.81 -49.79 49.24 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.637 -1.29 . . . . 0.0 112.599 164.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -18.25 64.21 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.929 1.692 . . . . 0.0 113.142 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -57.27 3.99 Favored 'General case' 0 CA--C 1.531 0.213 1 C-N-CA 131.994 4.118 . . . . 0.0 108.717 169.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.56 -50.4 12.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.409 ' HB2' ' H ' ' A' ' 27' ' ' THR . 81.6 p -62.98 -14.72 51.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.181 0.992 . . . . 0.0 112.68 166.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.43 0.67 8.39 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.938 1.732 . . . . 0.0 115.147 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m 129.9 -16.77 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.259 1 C-N-CA 132.326 4.25 . . . . 0.0 112.629 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -89.79 162.22 15.63 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -155.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.94 48.08 0.99 Allowed Glycine 0 CA--C 1.538 1.483 0 C-N-CA 127.98 2.705 . . . . 0.0 110.956 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.7 m -119.9 -37.0 3.17 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -158.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t 140.46 -20.74 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 130.169 3.388 . . . . 0.0 110.653 -150.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -107.99 139.21 42.96 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 139.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 19' ' ' SER . 58.8 p 88.87 138.87 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 123.163 2.711 . . . . 0.0 115.889 -80.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.23 68.5 0.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.293 1.037 . . . . 0.0 110.861 167.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 32' ' ' GLU . 9.6 t -56.12 154.7 7.4 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.552 -0.718 . . . . 0.0 109.133 151.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -36.34 -38.22 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 129.345 3.058 . . . . 0.0 114.0 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.56 -34.49 8.49 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.092 1.329 . . . . 0.0 116.003 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tt0 -70.2 -47.48 61.32 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.772 1.786 . . . . 0.0 109.719 173.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -44.9 -52.33 8.76 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.369 1.468 . . . . 0.0 109.699 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -55.08 -54.34 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.438 1.895 . . . . 0.0 113.48 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.8 -10.37 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.32 -28.09 38.25 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.414 1.485 . . . . 0.0 111.619 165.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -23.54 19.68 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -159.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -20.31 62.87 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 121.669 2.031 . . . . 0.0 111.023 168.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -92.49 -59.07 2.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.699 2.0 . . . . 0.0 110.334 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -108.93 -4.06 17.06 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -165.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.35 36.77 0.29 Allowed Pre-proline 0 CA--C 1.564 1.5 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 170.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -48.66 133.35 26.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 122.401 1.893 . . . . 0.0 112.998 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.26 -25.67 24.22 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.479 1.514 . . . . 0.0 113.806 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.69 -15.9 60.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.809 1.805 . . . . 0.0 112.356 160.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.81 17.97 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.992 1.717 . . . . 0.0 114.256 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.0 -28.49 66.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 158.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 49' ' ' LYS . 10.3 m -82.24 -73.58 0.39 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.406 0.682 . . . . 0.0 110.476 156.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.09 -19.17 0.06 OUTLIER Glycine 0 CA--C 1.544 1.893 0 C-N-CA 127.302 2.382 . . . . 0.0 116.242 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 47' ' ' SER . 6.8 ttpm? -105.89 106.12 16.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 131.496 3.918 . . . . 0.0 109.042 -173.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -56.71 20.53 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.017 3.727 . . . . 0.0 115.632 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -111.92 -11.02 13.94 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.036 2.134 . . . . 0.0 111.673 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.64 -103.23 0.41 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.456 161.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HA ' ' H ' ' A' ' 56' ' ' LYS . . . -77.79 -160.88 0.21 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.824 1.647 . . . . 0.0 111.459 166.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t 62.4 -60.21 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 126.296 1.838 . . . . 0.0 109.185 -154.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.45 -39.43 64.43 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.161 1.785 . . . . 0.0 112.862 160.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' HA ' ' A' ' 53' ' ' ALA . 26.2 mmtm -90.88 9.65 29.51 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 170.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.77 -65.34 1.0 Allowed 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 146.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -35.9 -64.93 0.28 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.22 1.408 . . . . 0.0 111.861 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -20.53 6.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.156 2.182 . . . . 0.0 115.895 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -42.46 15.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.904 0.775 . . . . 0.0 111.522 176.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -84.67 -34.07 23.08 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.265 1.026 . . . . 0.0 112.584 -179.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -31.39 -41.91 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 131.404 3.882 . . . . 0.0 113.818 162.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.99 -26.8 11.47 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.672 1.589 . . . . 0.0 114.617 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.21 4.36 50.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.89 -70.34 0.01 OUTLIER Glycine 0 C--N 1.345 1.031 0 N-CA-C 116.07 1.188 . . . . 0.0 116.07 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -159.85 -68.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.0 1.32 . . . . 0.0 111.439 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 160.5 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 130.446 3.498 . . . . 0.0 108.609 -164.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.11 78.41 0.95 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.023 0.916 . . . . 0.0 110.112 163.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 61' ' ' LEU . 19.9 t -48.75 121.12 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 129.105 2.962 . . . . 0.0 113.014 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . 0.254 0.0 OUTLIER -89.81 172.05 9.18 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.122 1.369 . . . . 0.0 113.791 170.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -44.65 43.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.849 1.66 . . . . 0.0 113.731 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.5 p -69.01 -12.79 62.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.076 2.15 . . . . 0.0 114.025 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -106.25 -46.6 4.01 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.147 1.779 . . . . 0.0 107.235 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 18.9 t80 -48.32 -62.36 1.53 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.434 1.894 . . . . 0.0 111.497 159.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -61.14 -40.29 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -163.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.4 t -57.06 -46.8 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.321 1.448 . . . . 0.0 110.7 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -84.13 -21.55 31.37 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG21 ' CZ ' ' A' ' 74' ' ' PHE . 23.5 t -54.03 -46.5 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.613 1.097 . . . . 0.0 108.82 165.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -5.37 12.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.45 -45.3 9.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.997 1.272 . . . . 0.0 110.762 160.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -40.42 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 129.133 2.973 . . . . 0.0 112.288 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -47.86 -39.18 17.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -87.02 -43.15 12.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.381 1.072 . . . . 0.0 111.368 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.89 -16.9 39.61 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -164.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.9 m -64.78 -62.67 1.43 Allowed 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.245 1.839 . . . . 0.0 108.073 162.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.56 -45.59 81.18 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 128.57 2.748 . . . . 0.0 113.172 -177.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.1 mttp 61.92 -22.42 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 129.395 3.078 . . . . 0.0 114.643 -174.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.416 ' H ' ' H ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -177.79 -7.86 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.162 1 C-N-CA 133.463 4.705 . . . . 0.0 113.004 151.47 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.416 ' H ' ' H ' ' A' ' 88' ' ' TYR 0.426 4.8 p90 44.33 3.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 130.695 3.598 . . . . 0.0 120.222 -176.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.99 12.11 2.96 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.486 1.114 . . . . 0.0 112.183 135.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -131.21 -84.79 0.51 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.567 2.347 . . . . 0.0 110.943 -165.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.51 83.04 3.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 155.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.65 68.88 0.57 Allowed Glycine 0 C--N 1.339 0.745 0 C-N-CA 125.792 1.663 . . . . 0.0 112.91 -168.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.4 tp 59.53 -7.15 0.06 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.732 2.413 . . . . 0.0 114.039 -163.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 128.794 2.837 . . . . 0.0 113.988 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.6 p -76.62 -170.55 1.58 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 129.795 3.238 . . . . 0.0 111.892 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -72.91 -44.11 61.61 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.817 3.008 . . . . 0.0 110.909 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.78 -52.03 34.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.55 1.54 . . . . 0.0 110.985 168.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.02 -19.88 50.39 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.886 -1.054 . . . . 0.0 113.816 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 -40.73 54.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 121.209 1.822 . . . . 0.0 110.987 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.82 77.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.215 0.462 . . . . 0.0 110.621 167.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtm -68.56 -33.85 74.81 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.04 -40.66 10.15 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 118.205 -1.331 . . . . 0.0 111.027 160.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 57.8 mtp -71.3 -25.61 62.51 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 115.745 -2.074 . . . . 0.0 114.969 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB ' ' B' ' 14' ' ' VAL 0.313 0.0 OUTLIER -89.17 -29.5 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 122.954 2.616 . . . . 0.0 113.52 171.023 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.2 -38.2 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 118.68 0.673 . . . . 0.0 109.648 159.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.551 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 17.8 t70 -84.7 -15.66 44.48 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' B' ' 11' ' ' ILE . 0.6 OUTLIER -72.22 -32.61 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.237 -1.539 . . . . 0.0 110.128 161.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' B' ' 28' ' ' LEU . 32.8 t80 -73.45 -38.95 65.31 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 113.07 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 12.2 t -43.97 -35.83 2.21 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 129.488 3.115 . . . . 0.0 114.847 174.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -50.07 -27.3 5.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.674 2.79 . . . . 0.0 113.33 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -130.91 -53.05 1.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.007 1.723 . . . . 0.0 112.01 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -143.32 -0.7 1.09 Allowed 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.34 -12.93 41.17 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 119.063 -2.273 . . . . 0.0 111.759 160.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 40.3 m -92.51 -14.98 27.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.226 2.611 . . . . 0.0 114.49 169.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -155.1 146.61 23.09 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.763 1.62 . . . . 0.0 115.113 -158.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.02 57.13 0.56 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.905 1.717 . . . . 0.0 112.44 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -138.62 -31.22 0.74 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -150.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 9.1 t 138.41 -23.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 130.587 3.555 . . . . 0.0 110.335 -154.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -108.48 129.84 55.27 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 103.095 -2.928 . . . . 0.0 103.095 139.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.6 p 66.11 126.69 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 3 C-N-CA 133.435 4.694 . . . . 0.0 117.757 -53.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' B' ' 15' ' ' PHE . 10.9 mp -71.14 66.08 0.4 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.719 1.247 . . . . 0.0 110.582 167.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -50.39 145.26 6.54 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.315 145.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -41.01 -42.11 1.83 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.859 2.464 . . . . 0.0 114.391 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.15 -24.9 65.12 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.579 1.085 . . . . 0.0 115.223 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -79.71 -52.83 7.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.699 1.25 . . . . 0.0 109.288 167.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.708 HD22 HG13 ' B' ' 54' ' ' VAL . 7.1 tt -43.0 -54.7 4.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.807 2.443 . . . . 0.0 112.15 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -39.49 55.59 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.14 -18.89 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.55 1.14 . . . . 0.0 111.452 -173.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.73 -43.37 15.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.206 1.802 . . . . 0.0 111.712 169.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.517 ' SD ' HD13 ' B' ' 41' ' ' LEU . 12.1 mmt -71.24 -34.41 70.75 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.552 1.141 . . . . 0.0 112.82 -168.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.72 -18.0 4.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.332 1.453 . . . . 0.0 112.807 170.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -115.55 -47.05 2.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.22 2.208 . . . . 0.0 110.255 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -102.13 -14.07 17.22 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.517 HD13 ' SD ' ' B' ' 37' ' ' MET . 5.8 mp -132.42 34.77 0.27 Allowed Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -36.21 111.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.835 3.024 . . . . 0.0 114.071 161.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.75 -42.02 1.53 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.25 1.405 . . . . 0.0 112.956 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -66.89 -21.92 65.98 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 123.073 1.416 . . . . 0.0 111.401 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -1.63 9.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.113 2.565 . . . . 0.0 113.359 176.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -52.05 -35.35 47.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.049 0.94 . . . . 0.0 112.107 162.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.1 m -108.09 -47.15 3.61 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 124.896 1.279 . . . . 0.0 110.997 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.6 23.47 49.68 Favored Glycine 0 CA--C 1.538 1.509 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.924 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -124.72 162.26 24.6 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -154.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.7 -8.21 4.37 Favored 'General case' 0 CA--C 1.544 0.718 1 C-N-CA 132.115 4.166 . . . . 0.0 115.375 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 -33.9 5.39 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.554 1.142 . . . . 0.0 112.92 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -149.22 -0.63 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -153.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.51 -67.55 0.3 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.852 1.66 . . . . 0.0 114.097 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.708 HG13 HD22 ' B' ' 33' ' ' LEU . 62.4 t -58.18 -37.78 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.572 0.749 . . . . 0.0 109.559 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.53 -26.15 68.41 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 169.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -91.42 -39.56 11.92 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.977 1.262 . . . . 0.0 111.695 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.75 -8.48 3.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.282 1.033 . . . . 0.0 113.003 164.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 tt -92.59 -80.15 0.38 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.073 2.149 . . . . 0.0 107.89 158.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -41.29 14.72 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.232 1.813 . . . . 0.0 115.861 -166.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -37.18 86.44 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.065 0.848 . . . . 0.0 111.849 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.482 HD23 ' N ' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -95.22 -43.99 7.82 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.614 1.566 . . . . 0.0 111.897 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -4.83 0.89 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.632 1.573 . . . . 0.0 113.283 174.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.86 -25.76 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.354 158.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.77 -16.38 55.67 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.716 1.206 . . . . 0.0 113.626 170.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -96.49 0.69 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.26 1.886 . . . . 0.0 112.22 -172.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -159.28 -79.21 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.372 1.069 . . . . 0.0 111.377 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.47 24.35 1.25 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.438 1.895 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -138.83 76.87 1.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.957 1.703 . . . . 0.0 111.867 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -42.34 124.18 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 127.631 2.372 . . . . 0.0 114.466 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.72 167.82 11.22 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 127.922 2.489 . . . . 0.0 113.267 168.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -60.15 -38.52 83.4 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.626 -1.296 . . . . 0.0 113.317 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -75.96 1.74 14.48 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.978 0.808 . . . . 0.0 112.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -112.22 -51.75 2.82 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 127.461 2.304 . . . . 0.0 107.297 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.27 -60.53 2.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.819 1.248 . . . . 0.0 111.655 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.0 -39.95 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 120.127 1.33 . . . . 0.0 113.391 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.06 -52.35 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.639 1.176 . . . . 0.0 109.911 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.83 -18.41 47.53 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.428 HG22 HD11 ' A' ' 4' ' ' LEU . 25.4 t -50.36 -51.49 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 120.266 1.394 . . . . 0.0 108.797 161.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -16.86 63.88 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 -19.58 44.27 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.875 -1.141 . . . . 0.0 113.221 164.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.75 -46.47 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.613 1.565 . . . . 0.0 110.876 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.496 HG21 HG12 ' A' ' 75' ' ' ILE . 14.8 t -54.96 -43.58 73.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.209 163.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 17.3 m -64.67 -13.54 54.56 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.9 -41.45 13.19 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.328 1.451 . . . . 0.0 111.257 171.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -56.78 -41.58 77.92 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.858 0.754 . . . . 0.0 111.209 164.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -58.2 -59.1 5.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.771 1.228 . . . . 0.0 110.539 167.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.06 -51.14 0.41 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.814 2.445 . . . . 0.0 111.262 -148.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . 0.418 ' CZ ' ' HE2' ' B' ' 91' ' ' LYS . 0.1 OUTLIER -147.99 -31.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.632 1.173 . . . . 0.0 112.673 159.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 37.6 t80 114.66 94.12 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.224 1 C-N-CA 131.775 4.03 . . . . 0.0 112.634 162.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 63.48 -65.01 0.11 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.7 2.0 . . . . 0.0 111.931 -171.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.418 ' HE2' ' CZ ' ' B' ' 88' ' ' TYR . 69.1 tttt -16.42 -58.92 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 129.42 3.088 . . . . 0.0 112.185 149.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.16 100.22 3.76 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.902 1.281 . . . . 0.0 108.133 150.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.94 -6.94 87.89 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-O 119.472 -0.626 . . . . 0.0 113.439 167.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 pp 140.21 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 1 C-N-CA 134.388 5.075 . . . . 0.0 109.522 -166.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.888 0 C-N-CA 127.706 2.402 . . . . 0.0 111.366 158.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.477 0.18 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 p -148.0 -175.6 4.95 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 131.228 3.811 . . . . 0.0 106.531 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.49 -52.8 63.35 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.662 2.028 . . . . 0.0 112.221 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' B' ' 41' ' ' LEU . 1.9 pp -67.48 -36.81 81.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.85 -28.44 58.2 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.652 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.73 82.31 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.502 1.046 . . . . 0.0 110.235 169.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.1 78.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.445 0.698 . . . . 0.0 112.862 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.498 ' SD ' HG12 ' B' ' 78' ' ' VAL . 69.4 mtm -62.5 -33.62 75.23 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.931 1.241 . . . . 0.0 112.912 173.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -42.44 -40.02 3.51 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.451 161.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mtt -76.58 -18.25 58.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.984 1.892 . . . . 0.0 114.926 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -24.89 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 CA-C-N 120.618 1.554 . . . . 0.0 113.285 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.48 -28.28 39.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 147.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -73.72 -42.2 61.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.145 -1.883 . . . . 0.0 113.051 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 3.0 m -60.39 -35.17 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 122.542 2.428 . . . . 0.0 111.965 172.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -58.86 -46.71 87.12 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.398 0.544 . . . . 0.0 111.4 165.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 m -62.92 -24.41 67.84 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 114.011 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -70.31 -46.48 64.14 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.755 1.616 . . . . 0.0 110.045 168.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.411 ' CG ' ' HB2' ' A' ' 36' ' ' LEU . 44.1 m-85 -104.37 -24.26 13.1 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -159.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.9 m -75.84 -8.53 57.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.647 1.112 . . . . 0.0 111.667 149.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.89 7.51 36.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.939 1.257 . . . . 0.0 113.99 -166.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m 119.59 -64.69 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 133.728 4.811 . . . . 0.0 107.237 -167.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.37 178.31 2.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.73 2.812 . . . . 0.0 109.262 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.98 -29.59 4.34 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.57 1.081 . . . . 0.0 113.365 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -54.04 -24.59 17.66 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.479 2.312 . . . . 0.0 112.563 159.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m 147.37 -103.73 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 1 C-N-CA 137.364 6.266 . . . . 0.0 101.153 -170.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -126.35 41.51 3.51 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.382 1.073 . . . . 0.0 109.909 156.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -129.22 171.65 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -153.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.9 110.35 22.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.89 3.276 . . . . 0.0 108.407 158.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -74.81 162.06 29.01 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.595 1.089 . . . . 0.0 111.364 160.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -53.06 -33.95 54.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.279 1.832 . . . . 0.0 113.399 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.33 -11.27 72.53 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.799 1.19 . . . . 0.0 115.006 178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -100.04 -43.19 6.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 128.187 2.595 . . . . 0.0 109.452 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.29 -25.63 1.64 Allowed 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 128.793 2.837 . . . . 0.0 114.756 165.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -76.23 -43.26 42.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.701 2.046 . . . . 0.0 115.548 -164.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.9 t -74.48 -10.65 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 122.358 1.075 . . . . 0.0 111.966 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 18' ' ' TYR . 11.8 tp -74.02 -30.08 62.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.78 2.432 . . . . 0.0 111.77 163.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.89 -47.46 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.423 -1.423 . . . . 0.0 111.397 -170.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.85 -5.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 129.151 2.981 . . . . 0.0 115.057 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -141.84 -53.45 0.44 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 129.163 2.985 . . . . 0.0 108.26 -148.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -103.73 -21.73 13.66 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.353 0.0 OUTLIER -147.28 69.75 11.67 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 121.256 1.844 . . . . 0.0 114.818 164.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.77 -5.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.965 5.11 . . . . 0.0 119.714 169.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.99 2.78 87.19 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.807 1.67 . . . . 0.0 115.199 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -118.78 6.79 11.51 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.248 1.419 . . . . 0.0 112.303 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.78 -14.74 24.41 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.437 1.895 . . . . 0.0 112.686 -168.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 46' ' ' GLN . 21.9 mp0 -63.56 -24.31 67.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.347 2.259 . . . . 0.0 110.424 170.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -91.46 -70.22 0.7 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.423 1.489 . . . . 0.0 109.732 153.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.96 -9.48 6.54 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.91 1.924 . . . . 0.0 117.91 168.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' A' ' 50' ' ' ASP 0.297 0.0 OUTLIER -155.54 -67.74 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.677 2.239 . . . . 0.0 114.254 169.135 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 20.2 m-20 29.04 6.58 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 135.891 5.676 . . . . 0.0 120.387 176.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 65.97 3.5 2.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.811 2.445 . . . . 0.0 112.517 -153.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 1.5 t70 -128.37 -169.08 2.01 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 128.263 2.625 . . . . 0.0 111.188 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 48.15 -66.27 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 130.116 3.366 . . . . 0.0 117.47 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.93 -40.81 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.006 1.722 . . . . 0.0 109.578 154.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 34.3 t70 -64.48 -27.94 69.32 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 170.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -92.87 -30.66 15.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.439 1.472 . . . . 0.0 112.124 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.87 1.6 0.26 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.519 1.528 . . . . 0.0 113.348 156.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 tt -112.75 -68.83 0.9 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.839 2.456 . . . . 0.0 109.047 164.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -29.12 10.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.739 2.416 . . . . 0.0 115.803 -173.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.09 -37.32 66.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.431 1.014 . . . . 0.0 111.825 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -90.54 -41.15 11.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.762 1.625 . . . . 0.0 112.195 -176.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -28.17 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 132.805 4.442 . . . . 0.0 116.127 168.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.68 -22.68 24.39 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.531 1.532 . . . . 0.0 115.014 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -7.88 56.84 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.293 1.837 . . . . 0.0 111.659 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.16 -77.12 0.02 OUTLIER Glycine 0 C--N 1.343 0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 114.43 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -146.53 -62.68 0.3 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 147.3 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 129.805 3.242 . . . . 0.0 107.714 -156.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.12 101.31 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 152.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.44 108.3 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 126.666 1.986 . . . . 0.0 110.757 -161.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 161.73 10.07 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.367 1.867 . . . . 0.0 112.609 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 91' ' ' LYS . 14.5 p90 -56.97 -33.93 67.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.851 . . . . 0.0 112.322 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -65.86 -52.84 46.92 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.516 1.127 . . . . 0.0 110.515 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.99 -50.8 60.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.008 1.323 . . . . 0.0 110.039 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.61 -64.59 0.85 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.771 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.456 HG12 HG21 ' B' ' 82' ' ' THR . 9.0 tp -59.89 -35.59 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.922 1.237 . . . . 0.0 113.292 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.39 -54.19 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.824 0.849 . . . . 0.0 110.222 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -78.07 -16.02 58.4 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG12 ' SD ' ' B' ' 8' ' ' MET . 47.4 t -56.4 -51.54 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 120.61 1.55 . . . . 0.0 109.203 165.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -58.09 -33.35 69.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.753 0.706 . . . . 0.0 112.865 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.12 -27.7 68.25 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.342 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.45 -47.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 121.329 1.877 . . . . 0.0 112.026 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -59.09 -37.73 77.81 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.846 1.203 . . . . 0.0 110.671 171.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -47.11 84.42 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.226 0.61 . . . . 0.0 110.977 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.39 -40.32 77.94 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.43 1.092 . . . . 0.0 112.236 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -60.41 -11.66 7.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.675 1.59 . . . . 0.0 114.662 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -16.43 61.75 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.852 1.205 . . . . 0.0 112.366 168.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 0.8 OUTLIER 40.18 1.55 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 2 C-N-CA 132.901 4.48 . . . . 0.0 121.946 172.798 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.36 -20.93 64.91 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 120.885 1.675 . . . . 0.0 114.649 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -152.62 -120.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.764 0.826 . . . . 0.0 109.251 155.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -44.59 61.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.108 0.867 . . . . 0.0 110.371 165.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HD3' ' H ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -137.39 -68.81 0.47 Allowed 'General case' 0 CA--C 1.536 0.433 1 C-N-CA 133.873 4.869 . . . . 0.0 107.099 175.464 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.447 ' H ' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -167.66 96.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 130.681 3.592 . . . . 0.0 105.084 175.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.84 -12.43 83.03 Favored Glycine 0 CA--C 1.534 1.229 0 O-C-N 121.68 -0.638 . . . . 0.0 113.224 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.07 -24.99 21.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.696 1.598 . . . . 0.0 113.462 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.36 1.864 . . . . 0.0 108.891 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 16.0 p -152.27 -171.05 3.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.376 3.471 . . . . 0.0 107.039 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -65.44 -50.58 64.89 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 123.883 3.038 . . . . 0.0 110.114 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.32 -48.25 68.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.703 2.001 . . . . 0.0 112.672 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -78.79 -22.32 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.701 -1.143 . . . . 0.0 113.747 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.78 67.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 121.447 1.93 . . . . 0.0 110.411 169.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.19 78.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.536 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.413 ' SD ' HG12 ' A' ' 78' ' ' VAL . 76.1 mtm -68.52 -23.28 64.52 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 173.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.48 -44.81 22.45 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.477 -1.179 . . . . 0.0 110.573 159.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 30.8 mtt -69.44 -36.52 76.72 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.778 1.289 . . . . 0.0 113.68 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.43 0.0 OUTLIER -77.83 -9.6 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 171.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -87.24 -21.44 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.988 0 C-N-CA 125.128 1.371 . . . . 0.0 110.997 157.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -78.07 -34.23 50.39 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.147 -1.596 . . . . 0.0 112.644 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.01 -36.84 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 119.233 0.924 . . . . 0.0 112.142 164.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -73.83 -39.12 64.26 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.48 -0.763 . . . . 0.0 109.997 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -71.42 3.46 3.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.248 2.219 . . . . 0.0 113.348 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -71.85 0.28 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.844 1.202 . . . . 0.0 108.271 157.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -40.29 17.05 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -165.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 p -73.71 -1.29 18.48 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.479 165.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 4.48 0.01 OUTLIER Glycine 0 N--CA 1.476 1.312 1 C-N-CA 131.789 4.518 . . . . 0.0 120.575 -161.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -149.97 -61.47 0.21 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 148.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.45 ' HB3' ' H ' ' B' ' 26' ' ' GLN . 3.9 mt-10 -139.24 165.42 27.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.943 0.897 . . . . 0.0 108.952 139.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.25 21.14 3.14 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 126.177 1.846 . . . . 0.0 112.094 167.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.34 -163.71 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.876 1 C-N-CA 132.207 4.203 . . . . 0.0 104.584 -141.171 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -90.25 81.87 6.05 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.399 -1.438 . . . . 0.0 108.398 146.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.45 ' H ' ' HB3' ' B' ' 22' ' ' GLU 0.27 4.4 pt20 20.92 63.16 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 130.364 3.466 . . . . 0.0 115.978 -167.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -125.98 -176.33 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 127.884 2.473 . . . . 0.0 108.315 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.97 98.9 8.41 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.315 1.446 . . . . 0.0 108.455 158.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -69.47 148.72 49.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 109.74 162.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -48.16 -35.51 11.8 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.215 1.806 . . . . 0.0 113.418 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.43 65.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.424 -1.209 . . . . 0.0 115.117 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.46 -44.57 11.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.267 1.534 . . . . 0.0 109.706 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.434 HD22 HG13 ' B' ' 54' ' ' VAL . 9.8 tt -43.93 -49.63 8.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.846 2.859 . . . . 0.0 112.062 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -51.48 -41.45 60.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.66 -30.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 118.672 0.669 . . . . 0.0 111.238 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.1 -40.28 82.64 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.386 1.875 . . . . 0.0 111.616 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.484 ' SD ' HD22 ' B' ' 41' ' ' LEU . 8.3 mmt -64.95 -25.36 67.84 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.148 0.979 . . . . 0.0 112.968 -172.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -25.17 64.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.471 1.108 . . . . 0.0 112.782 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -107.22 -43.35 4.62 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 126.061 1.744 . . . . 0.0 111.086 -165.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -120.37 -9.12 9.54 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.505 ' CD1' HD21 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -117.6 31.08 0.15 Allowed Pre-proline 0 CA--C 1.565 1.53 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 168.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -39.14 117.86 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 123.548 2.832 . . . . 0.0 114.033 165.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.31 -41.56 1.81 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.975 1.274 . . . . 0.0 112.799 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' B' ' 41' ' ' LEU . 97.2 m-85 -69.45 -20.49 63.76 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.325 1.562 . . . . 0.0 111.632 170.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -7.44 15.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.117 2.567 . . . . 0.0 113.52 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.8 -29.08 66.57 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.298 1.408 . . . . 0.0 111.782 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -100.26 -64.37 1.05 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.688 0.795 . . . . 0.0 109.516 159.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 -8.14 3.63 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 117.519 -1.712 . . . . 0.0 116.283 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.653 ' HG2' ' H ' ' B' ' 50' ' ' ASP 0.283 0.0 OUTLIER -160.7 -100.39 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.331 2.065 . . . . 0.0 112.27 167.459 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.653 ' H ' ' HG2' ' B' ' 49' ' ' LYS . 1.9 m-20 52.25 19.74 1.18 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.652 3.181 . . . . 0.0 114.838 170.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.04 -7.17 0.22 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 128.343 2.657 . . . . 0.0 114.583 -167.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -131.64 6.78 4.41 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.444 1.498 . . . . 0.0 114.719 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.4 174.1 10.77 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.057 -1.027 . . . . 0.0 109.428 147.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.434 HG13 HD22 ' B' ' 33' ' ' LEU . 72.3 t 61.41 -57.15 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.278 1.831 . . . . 0.0 110.934 -161.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.73 -37.03 17.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.677 2.391 . . . . 0.0 113.697 164.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -95.88 -5.19 42.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.41 1.084 . . . . 0.0 113.736 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.18 2.92 55.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.224 1.009 . . . . 0.0 110.247 161.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.83 -78.65 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.262 2.625 . . . . 0.0 108.861 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -50.55 10.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.71 2.004 . . . . 0.0 114.502 -170.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -11.34 3.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.724 2.41 . . . . 0.0 114.409 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.597 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.3 OUTLIER -127.04 -35.71 2.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.393 1.877 . . . . 0.0 112.782 174.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -6.29 0.75 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.575 1.55 . . . . 0.0 113.35 167.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.96 -23.3 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.782 -1.199 . . . . 0.0 113.782 158.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.96 -3.85 56.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 125.592 1.557 . . . . 0.0 112.854 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.21 -102.87 0.77 Allowed Glycine 0 CA--C 1.536 1.397 0 C-N-CA 127.098 2.285 . . . . 0.0 112.336 -174.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.79 -83.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.27 1.828 . . . . 0.0 110.765 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.44 25.95 2.0 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.623 2.369 . . . . 0.0 111.422 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -139.0 91.74 2.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.882 2.073 . . . . 0.0 109.925 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.97 125.12 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.433 1.893 . . . . 0.0 112.289 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . 0.262 0.4 OUTLIER -87.04 169.4 12.45 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 120.294 1.406 . . . . 0.0 113.906 166.642 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -38.48 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.107 1.363 . . . . 0.0 113.571 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 76' ' ' VAL . 95.4 p -66.21 -54.14 28.72 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.645 0.778 . . . . 0.0 110.101 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.1 -49.43 63.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.198 2.599 . . . . 0.0 110.517 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -53.79 -61.15 2.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.05 171.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -37.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 119.631 1.105 . . . . 0.0 112.93 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 72' ' ' SER . 0.5 OUTLIER -60.89 -48.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 119.863 1.211 . . . . 0.0 111.318 174.224 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.597 ' CG ' HD22 ' B' ' 61' ' ' LEU . 2.2 t80 -74.53 -24.77 59.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 8' ' ' MET . 83.7 t -56.68 -46.64 83.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.997 0.817 . . . . 0.0 109.377 167.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -65.56 -10.78 38.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 169.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.12 24.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.807 1.185 . . . . 0.0 111.884 162.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.27 -44.28 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 119.986 1.266 . . . . 0.0 111.651 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.456 HG21 HG12 ' A' ' 75' ' ' ILE . 12.7 t -65.27 -6.04 8.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 170.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.4 p -98.73 -29.45 13.0 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.53 1.132 . . . . 0.0 111.784 167.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.0 92.16 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.986 -1.071 . . . . 0.0 111.207 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 87.8 p -76.58 9.59 2.65 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.418 ' HA ' HG23 ' B' ' 92' ' ' THR . 39.9 p-80 -49.86 -25.3 3.03 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -49.41 -17.24 0.26 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.922 2.089 . . . . 0.0 114.571 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -60.49 -13.22 12.52 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 168.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -154.49 -117.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.863 1.665 . . . . 0.0 109.312 146.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -76.13 -35.45 59.26 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.541 1.064 . . . . 0.0 110.159 153.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -124.49 -29.84 3.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 -169.404 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.418 HG23 ' HA ' ' B' ' 86' ' ' HIS . 13.5 p 122.76 60.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 1 C-N-CA 131.872 4.069 . . . . 0.0 109.164 -159.011 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.24 -7.52 14.35 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.527 1.061 . . . . 0.0 115.599 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.27 -19.42 63.11 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.892 1.346 . . . . 0.0 112.183 164.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.97 0 C-N-CA 126.73 2.012 . . . . 0.0 110.789 172.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.9 p -151.24 -177.71 6.21 Favored 'General case' 0 N--CA 1.474 0.739 1 C-N-CA 132.54 4.336 . . . . 0.0 106.966 -172.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HB2' HD22 ' A' ' 4' ' ' LEU . 17.5 mm-40 -52.34 -44.55 65.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.627 1.558 . . . . 0.0 113.285 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 3' ' ' GLU . 1.6 mm? -102.34 -21.95 14.21 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -173.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' OE1' ' OG ' ' B' ' 85' ' ' SER . 95.9 mt-10 -64.05 -34.11 77.28 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.847 -1.158 . . . . 0.0 111.014 158.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.48 -23.05 37.64 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.792 1.178 . . . . 0.0 112.816 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.57 79.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 120.313 1.415 . . . . 0.0 109.603 158.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.572 ' SD ' HG12 ' B' ' 78' ' ' VAL . 8.2 mtm -59.89 -36.25 76.57 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 166.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.53 -28.76 5.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 117.624 -1.653 . . . . 0.0 114.052 162.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -82.72 -29.27 29.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.815 2.308 . . . . 0.0 113.755 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -87.49 -28.3 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 120.589 -1.319 . . . . 0.0 112.794 173.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.86 -38.58 80.91 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.291 153.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 28.8 t70 -56.52 -51.48 68.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 121.512 1.96 . . . . 0.0 111.522 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG12 HD11 ' A' ' 36' ' ' LEU . 54.0 t -45.33 -33.21 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.293 0.952 . . . . 0.0 112.358 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 28' ' ' LEU . 8.8 t80 -86.73 -27.93 23.36 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.432 1.893 . . . . 0.0 114.866 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -58.79 -27.87 65.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.056 2.542 . . . . 0.0 113.052 160.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.448 HH22 ' CD ' ' B' ' 3' ' ' GLU . 6.7 mtm180 -82.91 -61.81 1.77 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 112.649 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -81.82 -61.98 1.77 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.295 0.638 . . . . 0.0 112.399 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -3.02 3.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.236 1.814 . . . . 0.0 114.247 166.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 4.05 56.22 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.542 1.068 . . . . 0.0 114.848 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m 113.73 -68.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 1 C-N-CA 132.64 4.376 . . . . 0.0 107.345 -173.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -156.99 72.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 126.473 1.909 . . . . 0.0 108.195 167.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.78 -15.76 58.25 Favored Glycine 0 CA--C 1.536 1.366 0 CA-C-O 117.413 -1.771 . . . . 0.0 112.364 159.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.485 0.6 OUTLIER -3.13 13.77 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 2 C-N-CA 138.739 6.816 . . . . 0.0 121.813 -156.711 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 p -60.03 -58.56 8.03 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.079 2.152 . . . . 0.0 109.234 126.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -80.33 68.18 6.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 124.312 2.006 . . . . 0.0 109.836 162.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 10.6 p -73.01 161.65 30.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 112.36 -2.2 . . . . 0.0 109.308 142.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.2 mp -72.66 71.21 0.98 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.097 0.951 . . . . 0.0 110.2 162.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -50.23 148.03 3.81 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 146.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -38.94 -36.53 0.29 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.652 2.381 . . . . 0.0 113.84 172.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.74 -28.22 51.71 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.758 1.17 . . . . 0.0 115.228 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.2 -42.43 13.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.356 1.462 . . . . 0.0 110.276 172.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 54' ' ' VAL . 8.8 tt -45.28 -40.81 7.98 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 126.84 2.056 . . . . 0.0 112.098 175.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -69.39 -40.4 77.41 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.1 -11.3 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -170.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD11 HG12 ' A' ' 14' ' ' VAL 0.275 13.9 tp -74.46 -29.72 61.58 Favored 'General case' 0 CA--C 1.544 0.728 1 C-N-CA 131.811 4.044 . . . . 0.0 112.185 164.764 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.517 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -97.75 -20.52 17.52 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 119.589 -1.944 . . . . 0.0 113.362 -158.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.04 -30.78 71.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.44 1.018 . . . . 0.0 110.848 163.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -95.93 -55.06 3.11 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 127.834 2.454 . . . . 0.0 110.522 -164.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -115.9 -12.44 11.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.587 1.555 . . . . 0.0 111.789 -165.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' HE1' ' A' ' 37' ' ' MET . 6.0 mp -126.57 38.32 0.41 Allowed Pre-proline 0 CA--C 1.562 1.422 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -52.63 138.21 58.58 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 122.175 1.813 . . . . 0.0 112.914 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.09 -31.73 7.38 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.694 1.14 . . . . 0.0 113.996 -172.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.65 -18.51 64.03 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.606 1.703 . . . . 0.0 110.23 165.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -75.24 0.49 16.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.079 2.552 . . . . 0.0 114.49 172.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.93 -17.85 62.36 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.712 0.805 . . . . 0.0 112.499 163.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -103.86 -57.97 1.95 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.766 1.226 . . . . 0.0 110.323 153.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.47 15.38 52.54 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.396 0.0 OUTLIER 89.78 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 129.959 3.303 . . . . 0.0 112.682 -174.1 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.38 -21.68 11.71 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.512 1.925 . . . . 0.0 112.2 168.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? 139.12 -25.82 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.2 5.0 . . . . 0.0 110.888 -165.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.28 -91.34 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.348 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.39 -175.26 5.62 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.902 1.683 . . . . 0.0 113.897 -167.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 33' ' ' LEU . 39.4 t 61.39 -58.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 127.69 2.396 . . . . 0.0 110.085 -158.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -48.63 -54.67 13.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.251 1.42 . . . . 0.0 110.898 156.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.8 3.52 11.7 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.43 -71.01 0.47 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 152.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 59' ' ' LYS . 1.7 tt -36.71 -60.67 0.59 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.415 1.486 . . . . 0.0 112.554 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.31 -24.66 12.34 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.524 2.33 . . . . 0.0 115.526 -175.293 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.37 10.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.818 1.247 . . . . 0.0 110.204 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD12 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -75.71 -37.4 59.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.562 1.145 . . . . 0.0 112.68 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -25.95 -38.2 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 132.885 4.474 . . . . 0.0 115.466 164.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.09 52.26 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -10.78 54.44 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.465 1.106 . . . . 0.0 111.739 -177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.17 -69.57 0.01 OUTLIER Glycine 0 C--N 1.341 0.839 0 CA-C-N 120.402 1.455 . . . . 0.0 114.377 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -152.6 -63.42 0.16 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -172.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 151.25 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 130.343 3.457 . . . . 0.0 107.451 -159.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -66.27 89.42 0.13 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.992 0.901 . . . . 0.0 109.724 156.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 HD12 ' A' ' 61' ' ' LEU . 4.0 t -65.95 122.54 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.032 3.333 . . . . 0.0 113.31 -174.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.49 -179.65 5.63 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 127.623 2.369 . . . . 0.0 113.644 166.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -67.48 -35.23 78.77 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.329 -1.482 . . . . 0.0 112.645 -166.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -60.1 -55.65 31.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.069 0.947 . . . . 0.0 109.996 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HB2' HG13 ' A' ' 69' ' ' VAL . 12.9 mt-10 -51.07 -51.77 49.95 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.119 1.368 . . . . 0.0 109.721 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.65 -67.76 0.3 Allowed 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.343 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.444 HG12 HG21 ' B' ' 82' ' ' THR . 9.3 tp -57.46 -36.83 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 120.231 1.378 . . . . 0.0 113.172 -168.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.5 t -59.59 -48.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 0.0 110.721 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -80.25 -20.56 44.23 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.501 HG12 ' SD ' ' B' ' 8' ' ' MET . 50.9 t -56.61 -45.27 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.43 1.014 . . . . 0.0 108.57 168.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -59.11 -17.25 24.73 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 168.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.33 18.12 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.279 -1.513 . . . . 0.0 111.701 166.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -45.4 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 127.161 2.185 . . . . 0.0 111.039 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 8.8 t -54.18 -42.37 69.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.806 1.185 . . . . 0.0 112.401 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 m -69.95 -31.04 68.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.505 0.722 . . . . 0.0 111.433 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.82 58.65 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.668 1.587 . . . . 0.0 114.32 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.0 p -49.32 -22.67 1.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.409 2.284 . . . . 0.0 115.376 -176.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -56.15 -0.04 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.423 2.289 . . . . 0.0 115.851 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -51.36 -24.08 4.39 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.492 1.117 . . . . 0.0 113.286 164.454 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -89.41 -36.49 15.43 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.352 38.0 p90 38.3 -2.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.869 1 N-CA-C 121.918 4.044 . . . . 0.0 121.918 173.656 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -28.69 57.94 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.957 1.703 . . . . 0.0 112.512 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.71 10.06 4.68 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.424 2.69 . . . . 0.0 112.414 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.4 p 64.63 17.12 10.74 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.256 2.222 . . . . 0.0 113.69 -157.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.4 -39.59 0.47 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.533 1.539 . . . . 0.0 113.576 -168.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.3 tp 136.72 77.79 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.354 1 C-N-CA 136.803 6.041 . . . . 0.0 107.113 165.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.858 0 C-N-CA 125.87 1.668 . . . . 0.0 110.376 173.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.8 p -154.17 -171.83 4.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 131.544 3.938 . . . . 0.0 107.33 -163.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.448 ' CD ' HH22 ' A' ' 17' ' ' ARG . 42.7 tt0 -60.69 -53.92 51.6 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.361 2.346 . . . . 0.0 112.012 169.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -55.78 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.513 1.925 . . . . 0.0 111.079 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 68.2 mt-10 -72.26 -30.92 65.32 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.586 -175.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.46 62.75 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.934 1.697 . . . . 0.0 111.964 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.11 81.73 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 109.992 163.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.501 ' SD ' HG12 ' A' ' 78' ' ' VAL . 44.9 mtm -58.61 -35.56 72.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 169.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.16 -32.2 2.42 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.151 -1.361 . . . . 0.0 113.181 164.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 20.6 mtt -85.87 -20.56 28.9 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.575 1.688 . . . . 0.0 114.728 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -99.22 -28.66 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.209 1.368 . . . . 0.0 112.035 173.241 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.32 -38.17 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.358 146.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 18.0 t70 -68.45 -29.15 67.72 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 121.354 1.888 . . . . 0.0 114.776 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.95 -23.17 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 122.672 2.487 . . . . 0.0 110.92 165.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 9.5 t80 -97.78 -9.81 25.92 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 170.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' B' ' 13' ' ' ASP . 0.1 OUTLIER -97.62 -8.06 29.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.095 1.758 . . . . 0.0 112.445 170.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -55.9 -81.0 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.372 3.069 . . . . 0.0 110.366 154.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.39 -59.56 1.86 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.328 0.585 . . . . 0.0 111.971 -162.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 m -78.71 20.3 0.46 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.781 164.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.74 -18.93 6.07 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 119.099 0.863 . . . . 0.0 112.341 151.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.8 m -40.53 -44.8 2.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.89 2.476 . . . . 0.0 114.44 155.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 29.32 37.06 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 131.086 3.754 . . . . 0.0 115.953 -167.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' B' ' 25' ' ' THR . . . -79.38 8.88 44.46 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 117.102 -1.944 . . . . 0.0 114.336 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.5 ' CB ' HG23 ' B' ' 27' ' ' THR 0.507 0.0 OUTLIER -32.42 42.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 120.262 3.43 . . . . 0.0 120.262 -110.783 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.445 ' H ' ' C ' ' B' ' 23' ' ' GLY . 64.1 m -69.38 -36.92 77.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 131.094 3.758 . . . . 0.0 109.358 146.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -124.89 88.95 2.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 129.141 2.976 . . . . 0.0 104.558 162.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.5 HG23 ' CB ' ' B' ' 24' ' ' SER . 69.0 p 15.81 142.07 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 2 C-N-CA 136.101 5.76 . . . . 0.0 118.954 51.163 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.68 81.01 0.07 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 153.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.3 t -60.46 151.54 28.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.074 147.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -47.57 -36.83 11.19 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.793 2.037 . . . . 0.0 113.493 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -21.29 63.78 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.606 1.098 . . . . 0.0 114.847 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -80.45 -49.46 11.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.044 1.337 . . . . 0.0 109.907 171.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.482 HD22 HG13 ' B' ' 54' ' ' VAL . 6.7 tt -43.74 -60.91 1.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.948 2.099 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -41.45 -52.2 3.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -164.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.38 -12.41 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.194 2.198 . . . . 0.0 114.12 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.06 -33.07 33.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.54 1.936 . . . . 0.0 111.174 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mmt -81.88 -27.26 33.56 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.322 0.649 . . . . 0.0 111.599 -166.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.59 -28.19 44.55 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.863 1.665 . . . . 0.0 112.528 164.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -102.23 -59.24 1.74 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 126.127 1.771 . . . . 0.0 109.801 -166.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -99.17 -18.54 17.61 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -164.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . 0.335 0.0 OUTLIER -140.98 56.12 6.23 Favored Pre-proline 0 CA--C 1.563 1.444 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 164.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -44.72 -13.12 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 1 C-N-CA 126.851 5.034 . . . . 0.0 120.433 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.59 -25.08 68.55 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 121.247 1.84 . . . . 0.0 113.706 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -74.4 -7.89 54.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.256 1.028 . . . . 0.0 113.662 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.61 -5.0 59.28 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.084 1.354 . . . . 0.0 113.13 -172.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.42 -30.77 61.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.164 1.386 . . . . 0.0 111.216 156.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -90.83 -60.76 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.832 2.053 . . . . 0.0 110.482 166.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.49 8.23 2.55 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 163.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.346 0.0 OUTLIER 123.15 120.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.026 1 C-N-CA 133.775 4.83 . . . . 0.0 111.104 174.368 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' B' ' 52' ' ' ASP . 36.7 t70 -144.29 24.02 1.62 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 0.0 111.663 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER 58.95 -30.08 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 O-C-N 119.345 -2.097 . . . . 0.0 115.39 -159.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 50' ' ' ASP . 14.9 m-20 -112.17 -5.46 14.22 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 131.159 3.783 . . . . 0.0 112.953 173.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' B' ' 47' ' ' SER . . . -120.8 165.71 14.77 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.194 0.998 . . . . 0.0 109.097 160.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.482 HG13 HD22 ' B' ' 33' ' ' LEU . 1.7 t 59.2 -50.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.157 0.983 . . . . 0.0 110.463 -141.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.31 -33.56 42.94 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 127.502 2.321 . . . . 0.0 115.641 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -92.02 -5.47 52.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 121.224 1.829 . . . . 0.0 112.387 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.449 ' O ' HD21 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -92.87 6.77 46.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.845 1.258 . . . . 0.0 109.552 159.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.25 -72.95 0.7 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.08 2.552 . . . . 0.0 108.791 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -41.85 -33.28 0.5 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 130.236 3.414 . . . . 0.0 115.425 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -20.89 59.96 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.009 1.724 . . . . 0.0 114.697 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -122.13 -28.88 4.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.183 2.593 . . . . 0.0 112.397 -176.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.97 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.54 1 C-N-CA 132.683 4.393 . . . . 0.0 114.683 156.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.88 -33.28 0.19 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.07 1.748 . . . . 0.0 113.654 157.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.44 -25.12 61.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.868 2.067 . . . . 0.0 116.035 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.15 34.57 0.08 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.76 1.864 . . . . 0.0 117.76 -165.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 50.55 0.67 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 130.941 3.696 . . . . 0.0 118.573 169.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 68' ' ' GLN . . . 175.98 -11.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 129.509 3.124 . . . . 0.0 112.12 167.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.401 ' H ' ' H ' ' B' ' 67' ' ' ALA . 31.7 mt-30 -112.52 104.85 12.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.449 1.1 . . . . 0.0 109.366 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.508 HG11 HD12 ' B' ' 61' ' ' LEU . 38.0 t -88.03 119.75 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 129.115 2.966 . . . . 0.0 111.604 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.68 171.93 13.49 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.265 1.426 . . . . 0.0 114.124 162.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -54.18 -57.84 9.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.632 2.373 . . . . 0.0 114.092 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p -61.0 -24.38 66.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.424 1.889 . . . . 0.0 112.754 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.29 -50.87 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 128.588 2.755 . . . . 0.0 108.956 -169.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' B' ' 78' ' ' VAL . 67.5 t80 -45.5 -55.35 6.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.179 156.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.266 0.4 OUTLIER -58.43 -36.9 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -47.86 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.812 1.642 . . . . 0.0 110.156 169.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.54 ' CG ' HD22 ' B' ' 61' ' ' LEU . 3.8 t80 -75.69 -27.65 58.35 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 ' SD ' ' A' ' 8' ' ' MET . 60.5 t -60.49 -48.24 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.125 -0.985 . . . . 0.0 108.556 170.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -62.09 -5.59 2.35 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 168.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.71 -43.5 9.55 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.677 1.126 . . . . 0.0 111.866 160.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.5 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 128.373 2.669 . . . . 0.0 111.791 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.446 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 6.0 t -50.54 -61.62 2.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.678 0.672 . . . . 0.0 111.452 168.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.408 ' H ' HG23 ' B' ' 82' ' ' THR . 27.7 p -58.67 -29.19 66.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.437 1.495 . . . . 0.0 113.636 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -64.92 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.131 1.372 . . . . 0.0 110.361 173.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.436 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 12.3 t -53.83 -42.25 68.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.759 1.623 . . . . 0.0 111.995 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -53.1 -12.25 0.34 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.132 2.173 . . . . 0.0 116.663 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.01 -53.02 0.57 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.141 1.776 . . . . 0.0 113.595 -164.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -141.04 57.95 1.54 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.811 1.244 . . . . 0.0 109.668 161.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -150.37 113.36 4.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.957 0.903 . . . . 0.0 111.981 -160.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 66.41 -55.96 0.39 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.922 2.089 . . . . 0.0 111.466 -173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.8 -58.93 0.5 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 129.837 3.255 . . . . 0.0 111.748 157.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -165.14 73.64 0.21 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.424 1.889 . . . . 0.0 108.568 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.6 85.11 0.04 OUTLIER Glycine 0 N--CA 1.476 1.342 0 C-N-CA 125.776 1.655 . . . . 0.0 113.93 -170.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.03 8.8 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.36 2.664 . . . . 0.0 116.046 -160.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 114.594 -2.622 . . . . 0.0 112.647 -168.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -159.42 -167.71 2.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.526 3.13 . . . . 0.0 107.341 -164.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.25 -55.94 28.46 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 122.265 2.302 . . . . 0.0 111.374 165.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.32 -47.36 81.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.926 2.091 . . . . 0.0 112.464 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -86.19 -21.78 27.3 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.115 -172.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.89 -42.45 69.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.362 1.437 . . . . 0.0 109.638 162.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -55.59 23.74 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.568 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 78' ' ' VAL 0.319 1.2 ttt -69.59 -23.53 63.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.901 1.682 . . . . 0.0 114.226 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.83 -47.81 7.66 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 117.732 -1.594 . . . . 0.0 112.877 156.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 44.9 mtt -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.357 2.078 . . . . 0.0 113.809 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -26.82 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.598 1.09 . . . . 0.0 112.494 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.76 -24.52 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 118.067 0.394 . . . . 0.0 111.006 158.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 18.4 t70 -77.99 -43.12 30.54 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 120.398 -1.439 . . . . 0.0 113.287 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -59.9 -27.72 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.937 1.699 . . . . 0.0 111.988 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.0 t80 -69.24 -50.31 48.31 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.279 0.632 . . . . 0.0 110.597 165.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' N ' ' A' ' 21' ' ' SER . 15.4 m -56.96 -23.11 43.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.176 1.79 . . . . 0.0 115.109 174.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.415 HH22 ' CD ' ' B' ' 3' ' ' GLU . 0.2 OUTLIER -63.38 -65.07 0.73 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.848 1.659 . . . . 0.0 110.774 161.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -88.78 -46.45 8.97 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 -163.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 -4.41 58.09 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.941 1.246 . . . . 0.0 112.814 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.44 32.0 67.67 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 120.802 -1.186 . . . . 0.0 112.254 -165.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 16' ' ' SER . 7.5 m 79.53 -70.68 0.09 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 129.561 3.144 . . . . 0.0 107.882 -174.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -144.89 60.66 1.32 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.177 0.991 . . . . 0.0 110.198 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.27 -4.35 59.78 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.769 -1.017 . . . . 0.0 113.301 167.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.625 ' HA ' ' H ' ' A' ' 27' ' ' THR 0.437 3.3 m -0.67 5.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.881 2 C-N-CA 140.54 7.536 . . . . 0.0 122.822 -165.431 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 p -54.99 -56.08 23.71 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.846 1.258 . . . . 0.0 111.944 128.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -100.26 82.98 2.59 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 128.895 2.878 . . . . 0.0 106.483 163.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.625 ' H ' ' HA ' ' A' ' 24' ' ' SER . 45.4 p -6.85 138.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 2 C-N-CA 136.17 5.788 . . . . 0.0 121.027 69.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 15' ' ' PHE . 10.1 mp -66.45 78.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.046 1.739 . . . . 0.0 109.513 157.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 152.99 12.52 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 148.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -43.43 -33.68 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.582 2.353 . . . . 0.0 113.027 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -21.28 56.72 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.938 1.256 . . . . 0.0 115.405 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -87.29 -48.6 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.243 1.521 . . . . 0.0 109.749 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tt -41.59 -45.13 3.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 128.284 2.634 . . . . 0.0 113.159 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -60.76 -34.3 74.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 t -74.88 -36.46 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.768 0.827 . . . . 0.0 110.706 -172.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.27 -47.72 78.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.796 2.038 . . . . 0.0 111.611 164.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.523 ' HB3' HD21 ' A' ' 45' ' ' LEU . 1.5 mmm -67.63 -27.51 66.94 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -166.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -62.03 -25.38 67.63 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.949 1.25 . . . . 0.0 112.262 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -105.61 -50.79 3.13 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 126.233 1.813 . . . . 0.0 109.729 -167.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.89 -12.19 14.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 113.344 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.99 29.76 0.18 Allowed Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.533 1.533 . . . . 0.0 114.623 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.48 136.17 74.3 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 122.26 1.843 . . . . 0.0 111.746 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.98 -36.39 4.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.473 -1.182 . . . . 0.0 112.579 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -62.94 -24.44 67.87 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.113 1.957 . . . . 0.0 110.738 162.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -71.44 -0.07 9.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.495 1.518 . . . . 0.0 114.86 173.014 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.53 -16.12 54.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.315 0.962 . . . . 0.0 112.129 158.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -102.79 -59.7 1.66 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.046 1.338 . . . . 0.0 110.609 159.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' HE3' ' A' ' 49' ' ' LYS . . . 75.76 -14.13 6.14 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 117.291 -1.838 . . . . 0.0 116.334 175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HE3' ' C ' ' A' ' 48' ' ' GLY 0.348 0.0 OUTLIER 146.46 97.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 1 C-N-CA 132.49 4.316 . . . . 0.0 112.164 171.878 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 52' ' ' ASP . 62.9 m-20 -115.12 23.94 12.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.385 1.074 . . . . 0.0 111.346 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.272 3.0 tmtt? 59.91 -12.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.179 1.792 . . . . 0.0 114.258 -163.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 50' ' ' ASP . 74.9 m-20 -114.76 14.52 17.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.3 1.84 . . . . 0.0 113.388 169.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.67 172.48 13.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.973 1.309 . . . . 0.0 109.579 152.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t 58.51 -55.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.507 -157.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -50.85 -47.32 60.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.259 1.823 . . . . 0.0 112.11 164.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -77.56 -30.91 52.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.05 -3.35 3.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.959 1.704 . . . . 0.0 111.351 169.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -111.53 -55.67 2.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.092 2.957 . . . . 0.0 110.387 167.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HE2' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -58.24 -27.68 64.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 116.846 -1.549 . . . . 0.0 114.642 -172.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -75.52 -11.65 60.07 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.346 1.029 . . . . 0.0 113.026 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD22 ' CG ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -133.81 -31.4 1.17 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.935 1.294 . . . . 0.0 114.207 -171.198 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -19.08 -43.61 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 129.382 3.073 . . . . 0.0 114.685 151.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -22.5 8.29 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -18.73 32.75 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.346 1.458 . . . . 0.0 111.641 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.24 -73.53 0.03 OUTLIER Glycine 0 CA--C 1.527 0.838 0 CA-C-N 120.164 1.347 . . . . 0.0 114.373 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -151.11 -61.04 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -169.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 142.05 -54.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 130.584 3.554 . . . . 0.0 107.362 -154.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -62.79 93.28 0.05 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.82 157.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.8 124.35 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.267 2.227 . . . . 0.0 113.21 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.14 179.42 5.07 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 128.418 2.687 . . . . 0.0 112.975 167.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -72.25 -32.23 66.49 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.349 -1.469 . . . . 0.0 113.302 -162.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 t -56.93 -55.43 34.66 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.648 0.779 . . . . 0.0 109.927 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.61 -50.34 70.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 109.893 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.72 -56.46 19.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.736 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.472 HG12 HG21 ' B' ' 82' ' ' THR . 5.8 tp -62.93 -33.56 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.063 1.301 . . . . 0.0 112.804 -173.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.24 -51.46 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.124 0.97 . . . . 0.0 111.035 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.622 ' CG ' HD22 ' A' ' 61' ' ' LEU . 33.7 t80 -57.9 -43.57 86.22 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.936 0.789 . . . . 0.0 112.705 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.14 -48.64 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.679 1.992 . . . . 0.0 110.743 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.56 36.26 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.52 -41.74 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.719 1.145 . . . . 0.0 111.888 160.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 77' ' ' PHE . 18.2 mm -50.7 -45.61 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.495 1.918 . . . . 0.0 112.528 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.625 HG21 HG12 ' B' ' 75' ' ' ILE . 9.9 t -54.4 -11.36 0.51 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 171.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -106.96 -44.58 4.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.287 1.435 . . . . 0.0 110.853 166.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.07 -4.85 23.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.83 2.052 . . . . 0.0 114.79 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -47.29 -25.91 1.1 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.086 1.354 . . . . 0.0 112.623 166.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -60.64 -2.12 0.48 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.35 -5.64 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 119.483 3.142 . . . . 0.0 119.483 -163.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.13 -1.99 4.56 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.58 1.536 . . . . 0.0 115.018 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 57.83 -41.46 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 131.385 3.874 . . . . 0.0 117.447 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -39.05 67.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.781 1.633 . . . . 0.0 114.253 -177.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 21.28 16.91 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.183 1.793 . . . . 0.0 111.896 173.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . 0.322 1.6 p 38.15 53.32 1.67 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.014 1.726 . . . . 0.0 112.738 -149.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.63 -63.84 0.45 Allowed Glycine 0 C--N 1.344 0.995 0 C-N-CA 127.632 2.539 . . . . 0.0 114.722 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.75 10.02 0.22 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.042 2.137 . . . . 0.0 113.607 176.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.918 0 C-N-CA 127.02 2.128 . . . . 0.0 109.656 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -148.72 -172.02 4.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 131.237 3.815 . . . . 0.0 106.672 -174.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.415 ' CD ' HH22 ' A' ' 17' ' ' ARG . 32.3 tt0 -60.36 -53.68 54.75 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 123.367 2.803 . . . . 0.0 110.114 167.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -46.76 84.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.193 0.597 . . . . 0.0 111.579 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -74.31 -33.45 63.19 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.748 -1.12 . . . . 0.0 112.239 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.28 -23.64 54.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.826 1.648 . . . . 0.0 112.188 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.27 91.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.211 0.914 . . . . 0.0 111.053 165.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.497 ' HA ' HD12 ' B' ' 11' ' ' ILE . 69.1 mtm -65.92 -28.24 68.78 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 0.0 113.372 163.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.73 39.31 Favored Glycine 0 C--O 1.217 -0.908 0 CA-C-O 117.765 -1.575 . . . . 0.0 111.613 160.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtt -65.23 -32.11 73.61 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.061 1.931 . . . . 0.0 112.779 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 8' ' ' MET . 42.6 mt -71.62 -49.79 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.298 -0.876 . . . . 0.0 110.833 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.87 -33.22 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.593 1.557 . . . . 0.0 110.53 170.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.78 -38.78 73.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.865 1.266 . . . . 0.0 112.808 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -61.14 -32.8 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.945 1.248 . . . . 0.0 111.199 168.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 35.1 t80 -65.18 -50.16 67.02 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.163 -0.961 . . . . 0.0 111.029 163.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -66.52 -2.06 4.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.945 2.098 . . . . 0.0 116.264 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -54.72 11.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.631 1.972 . . . . 0.0 109.569 160.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -97.15 -68.96 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.454 1.502 . . . . 0.0 110.761 -165.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.496 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 43.9 m -77.27 2.61 15.12 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 171.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.07 -21.73 1.87 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.527 0.584 . . . . 0.0 114.158 150.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.7 m -52.18 -41.63 62.79 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.82 1.648 . . . . 0.0 113.32 162.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' B' ' 23' ' ' GLY 0.254 0.0 OUTLIER 42.19 -170.61 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.204 2.602 . . . . 0.0 113.968 -162.124 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.412 ' H ' ' CD ' ' B' ' 22' ' ' GLU . . . 94.02 -1.4 67.78 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.672 1.606 . . . . 0.0 113.099 -171.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . 0.326 0.0 OUTLIER 44.29 1.05 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.134 1 C-N-CA 133.876 4.87 . . . . 0.0 120.526 162.828 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 37.5 p -51.52 -31.94 25.92 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.301 1.841 . . . . 0.0 112.348 120.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 27' ' ' THR . 39.4 mt-30 -131.37 101.35 5.5 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.56 1.544 . . . . 0.0 110.09 169.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' B' ' 26' ' ' GLN . 67.2 p 47.67 142.48 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 2 C-N-CA 138.249 6.619 . . . . 0.0 119.668 7.285 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.94 77.23 0.22 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 160.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -60.45 153.76 22.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 149.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -51.53 -27.31 10.39 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.219 1.808 . . . . 0.0 113.129 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.09 -24.89 53.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.779 1.181 . . . . 0.0 115.088 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.64 -45.88 12.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.073 1.436 . . . . 0.0 109.932 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.428 HD23 ' C ' ' B' ' 33' ' ' LEU . 6.3 tt -54.72 -33.38 61.0 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.15 1.78 . . . . 0.0 114.409 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -59.63 -48.57 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.51 -1.369 . . . . 0.0 113.614 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.23 -11.04 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.457 1.903 . . . . 0.0 112.269 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.39 -40.17 62.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 111.594 162.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mmm -67.77 -48.02 67.57 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.532 1.06 . . . . 0.0 112.434 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.84 7.19 0.13 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.486 2.714 . . . . 0.0 114.213 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -147.18 -56.83 0.25 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 129.363 3.065 . . . . 0.0 108.938 -158.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.18 -13.33 15.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.0 39.41 0.48 Allowed Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -35.59 131.85 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.829 3.02 . . . . 0.0 116.287 162.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -32.4 7.41 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.562 1.553 . . . . 0.0 113.732 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -70.52 -17.42 62.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.83 1.315 . . . . 0.0 111.593 161.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -68.14 -3.76 11.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.497 1.919 . . . . 0.0 113.942 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -53.59 -26.67 22.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.442 1.097 . . . . 0.0 112.844 163.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -105.81 -32.91 8.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.991 1.316 . . . . 0.0 112.615 169.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.77 0.69 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.429 1.966 . . . . 0.0 116.103 167.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.72 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.222 1.809 . . . . 0.0 113.059 168.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 p30 41.41 5.25 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 131.632 3.973 . . . . 0.0 119.205 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER 71.89 -7.01 1.35 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.962 2.505 . . . . 0.0 114.282 -174.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 -12.32 8.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.954 1.702 . . . . 0.0 114.808 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' B' ' 47' ' ' SER . . . -104.77 -46.26 4.36 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.561 1.528 . . . . 0.0 113.218 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.11 -31.25 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 161.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.51 -22.57 62.62 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.092 1.757 . . . . 0.0 114.412 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.88 -34.3 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.558 1.527 . . . . 0.0 110.662 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.426 ' O ' HD21 ' B' ' 61' ' ' LEU . 2.6 mm? -65.44 -9.25 23.85 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.124 0.57 . . . . 0.0 112.233 158.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -85.96 -73.79 0.44 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.985 1.314 . . . . 0.0 109.796 159.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -47.49 -35.35 8.61 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.423 3.489 . . . . 0.0 115.454 -168.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.43 -53.57 55.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.375 0.67 . . . . 0.0 111.786 171.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.641 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.0 OUTLIER -83.98 -46.47 12.03 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.904 1.681 . . . . 0.0 112.059 -174.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -29.02 -37.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 131.583 3.953 . . . . 0.0 114.936 168.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.97 -24.8 7.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.575 1.55 . . . . 0.0 115.101 171.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -6.24 58.45 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.654 1.982 . . . . 0.0 111.473 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.23 -72.13 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 CA-C-N 120.074 1.306 . . . . 0.0 114.832 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.34 -60.82 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.415 1.086 . . . . 0.0 111.786 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 149.53 -46.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 130.531 3.532 . . . . 0.0 109.298 -158.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -63.5 89.79 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.391 0.677 . . . . 0.0 110.497 157.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.414 HG11 HD12 ' B' ' 61' ' ' LEU . 2.3 t -73.03 114.96 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.816 1.646 . . . . 0.0 113.187 -171.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.69 167.85 18.98 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.909 2.483 . . . . 0.0 113.649 166.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -62.77 -33.99 76.31 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.909 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -61.9 -46.05 91.08 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.734 1.152 . . . . 0.0 111.232 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.74 -52.31 66.22 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.133 1.373 . . . . 0.0 109.929 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.24 -60.2 3.97 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.388 0.675 . . . . 0.0 112.256 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.625 HG12 HG21 ' A' ' 82' ' ' THR . 9.5 tp -57.3 -40.23 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.596 1.089 . . . . 0.0 112.837 -175.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.13 -47.52 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.44 0.696 . . . . 0.0 111.081 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.13 -14.94 54.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.446 HG12 ' SD ' ' A' ' 8' ' ' MET . 67.9 t -62.2 -34.22 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 120.139 1.336 . . . . 0.0 109.424 162.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 0.3 7.55 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 166.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 -47.5 5.84 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.535 1.061 . . . . 0.0 110.315 158.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -31.16 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.451 1.9 . . . . 0.0 111.183 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.472 HG21 HG12 ' A' ' 75' ' ' ILE . 6.5 t -55.23 -24.53 28.01 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.594 1.558 . . . . 0.0 114.118 172.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 81.1 p -89.45 -43.37 10.9 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.521 1.528 . . . . 0.0 110.816 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.58 -24.05 67.34 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.271 -0.893 . . . . 0.0 112.858 173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 72.0 m -54.62 -20.86 8.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.75 2.82 . . . . 0.0 113.631 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -57.25 -44.56 83.97 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.732 2.013 . . . . 0.0 113.596 167.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp 54.08 -15.25 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.154 2.982 . . . . 0.0 117.753 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -146.16 -30.78 0.38 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.202 1.801 . . . . 0.0 113.82 170.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.352 0.6 OUTLIER 66.89 -12.54 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 118.116 2.636 . . . . 0.0 118.116 166.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -42.69 -39.12 2.29 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 120.558 1.526 . . . . 0.0 112.081 159.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -125.43 -2.84 7.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.962 2.905 . . . . 0.0 112.514 -169.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . 0.293 60.2 p 61.1 14.7 5.64 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 120.807 -1.183 . . . . 0.0 114.044 -139.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.11 -91.71 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 C-N-CA 128.516 2.96 . . . . 0.0 116.246 160.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.0 -11.01 59.64 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 117.82 0.81 . . . . 0.0 112.347 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.168 1.787 . . . . 0.0 110.676 164.295 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 24.9 ttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.3 p -149.67 -175.28 4.96 Favored 'General case' 0 N--CA 1.482 1.13 1 C-N-CA 132.525 4.33 . . . . 0.0 106.746 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.53 -29.18 58.45 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 123.323 2.783 . . . . 0.0 111.861 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -99.45 -42.37 6.98 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 126.45 1.9 . . . . 0.0 109.992 -166.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 63.3 mt-10 -67.7 -17.82 64.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.356 162.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 -31.95 25.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.681 1.582 . . . . 0.0 112.328 167.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.94 88.65 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.118 1.326 . . . . 0.0 110.779 163.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.524 ' SD ' HG12 ' B' ' 78' ' ' VAL . 74.7 mtm -64.47 -35.2 80.17 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 165.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.54 -36.06 17.18 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 117.598 -1.668 . . . . 0.0 112.69 164.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.8 mtt -73.16 -18.67 61.25 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.106 1.953 . . . . 0.0 113.406 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.321 0.2 OUTLIER -111.03 -21.31 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.724 1.147 . . . . 0.0 113.493 -176.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -63.09 -36.86 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 110.271 145.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.75 -51.01 68.81 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 116.802 -1.571 . . . . 0.0 109.841 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.31 -50.23 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 120.936 1.698 . . . . 0.0 111.481 171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.41 -43.63 83.89 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.651 1.114 . . . . 0.0 113.866 170.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 m -67.03 -14.5 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.767 2.027 . . . . 0.0 113.518 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mtm-85 -89.85 -43.31 10.71 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.952 1.701 . . . . 0.0 110.957 169.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.62 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -98.32 -23.28 15.69 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -168.394 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 p -82.71 -22.7 34.38 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.67 0.388 . . . . 0.0 111.652 148.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.61 -5.96 48.97 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.205 1.383 . . . . 0.0 115.655 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m 122.3 -68.54 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.1 1 C-N-CA 132.042 4.137 . . . . 0.0 106.784 -164.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -138.68 146.06 41.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.577 1.151 . . . . 0.0 109.545 153.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.9 -73.38 0.34 Allowed Glycine 0 C--N 1.339 0.702 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 170.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.423 ' OG ' ' OE1' ' A' ' 32' ' ' GLU . 4.5 m -58.81 -21.52 56.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 167.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 p 96.46 127.21 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 130.395 3.478 . . . . 0.0 106.142 -139.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.29 2.8 pp0? -56.5 86.22 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 124.417 2.056 . . . . 0.0 114.472 -152.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -165.32 166.29 18.79 Favored 'General case' 0 N--CA 1.444 -0.736 1 C-N-CA 132.075 4.15 . . . . 0.0 105.178 -172.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.26 125.09 47.25 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.002 1.273 . . . . 0.0 111.566 162.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -70.68 158.28 36.51 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.303 1.049 . . . . 0.0 111.609 156.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -50.84 -33.05 22.15 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 128.065 2.546 . . . . 0.0 114.079 -175.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -93.62 -20.05 32.99 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.494 1.045 . . . . 0.0 115.256 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' OE1' ' OG ' ' A' ' 24' ' ' SER . 77.8 tt0 -74.7 -42.95 57.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.083 1.353 . . . . 0.0 109.309 170.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.79 -50.42 60.78 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.522 2.329 . . . . 0.0 113.649 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -29.94 70.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -164.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -61.34 -27.49 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.224 0.92 . . . . 0.0 112.605 -173.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 18' ' ' TYR . 15.3 tp -72.0 -39.33 69.31 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.561 1.945 . . . . 0.0 112.435 174.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtt -79.62 -16.02 56.58 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.886 -0.509 . . . . 0.0 112.114 -157.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -59.54 -32.23 70.14 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.324 1.049 . . . . 0.0 112.154 161.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -100.0 -54.85 2.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.71 2.004 . . . . 0.0 109.922 -167.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 36' ' ' LEU . 32.0 mm-40 -102.87 -19.37 14.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.466 1.106 . . . . 0.0 113.57 -168.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mp -134.17 45.53 1.57 Allowed Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.45 153.65 40.12 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 121.408 1.539 . . . . 0.0 112.133 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 -34.38 4.99 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.518 1.056 . . . . 0.0 112.963 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -74.14 -7.25 51.94 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.967 1.383 . . . . 0.0 112.095 164.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -0.94 57.64 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.683 2.393 . . . . 0.0 114.327 -174.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -68.09 -15.73 63.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.93 0.787 . . . . 0.0 112.004 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -94.32 -55.79 3.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.732 1.613 . . . . 0.0 110.66 156.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.21 -23.11 0.2 Allowed Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.328 1.918 . . . . 0.0 116.029 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -159.43 -44.06 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.545 2.738 . . . . 0.0 110.925 157.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 51' ' ' LYS 0.259 0.6 OUTLIER 19.23 -72.31 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.144 3.778 . . . . 0.0 115.339 -163.596 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' H ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -161.0 -18.29 0.05 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 131.185 3.794 . . . . 0.0 110.478 158.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' H ' ' H ' ' A' ' 51' ' ' LYS . 48.9 m-20 -109.42 -147.76 0.42 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 128.435 2.694 . . . . 0.0 110.311 -176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 41.39 -71.31 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 131.021 3.728 . . . . 0.0 117.24 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.3 -35.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.135 1.374 . . . . 0.0 110.899 163.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 28.0 t70 -67.13 -25.35 66.14 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 125.871 1.668 . . . . 0.0 114.253 169.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -94.77 -38.42 10.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.735 1.152 . . . . 0.0 110.836 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.29 -6.86 0.47 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.001 1.32 . . . . 0.0 113.524 157.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tt -99.23 -79.37 0.48 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.465 1.906 . . . . 0.0 109.443 159.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -39.88 14.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.406 2.282 . . . . 0.0 115.973 -170.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.333 0.969 . . . . 0.0 110.663 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.43 -43.43 8.75 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.319 1.847 . . . . 0.0 112.172 178.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -6.79 1.91 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.237 1.415 . . . . 0.0 113.274 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.59 -25.35 2.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.56 1.144 . . . . 0.0 113.479 159.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -80.01 -16.51 54.99 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.871 1.268 . . . . 0.0 113.723 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.21 -97.18 0.73 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.967 1.746 . . . . 0.0 112.332 -170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.8 -84.55 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.492 1.117 . . . . 0.0 110.329 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.8 25.91 1.42 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.019 1.727 . . . . 0.0 112.59 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -138.93 102.0 4.44 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.237 1.015 . . . . 0.0 112.293 168.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -65.14 109.47 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 128.555 2.742 . . . . 0.0 115.769 -166.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -71.24 164.93 24.7 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.202 1.401 . . . . 0.0 113.643 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -61.38 -33.57 73.88 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.719 -1.238 . . . . 0.0 113.694 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -60.4 -46.68 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.057 1.343 . . . . 0.0 110.099 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.1 mt-10 -67.47 -49.17 64.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 127.556 2.343 . . . . 0.0 108.493 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.17 -60.79 2.89 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 117.963 -1.017 . . . . 0.0 112.122 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.405 HG12 HG21 ' B' ' 82' ' ' THR . 9.4 tp -57.99 -41.79 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 120.054 1.297 . . . . 0.0 112.452 -173.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.44 -50.85 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.877 0.871 . . . . 0.0 111.259 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -80.68 -16.61 53.51 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' B' ' 8' ' ' MET . 48.6 t -56.32 -37.87 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 120.869 1.668 . . . . 0.0 109.675 163.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -9.77 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 169.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.79 -44.97 11.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 110.743 161.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.23 -44.55 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.956 2.103 . . . . 0.0 111.155 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t -51.59 -50.75 59.55 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.917 0.781 . . . . 0.0 111.271 170.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 p -68.85 -16.24 63.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -45.81 22.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.238 -0.914 . . . . 0.0 110.546 165.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -71.36 -43.69 66.45 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.52 1.528 . . . . 0.0 113.828 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.99 9.86 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.184 3.394 . . . . 0.0 118.797 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -67.88 70.65 0.14 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.873 2.469 . . . . 0.0 113.02 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 81.46 -15.67 0.7 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.25 3.02 . . . . 0.0 118.183 154.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -111.07 -119.64 0.29 Allowed 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.547 1.976 . . . . 0.0 115.335 -168.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -60.71 -17.54 48.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 121.656 2.026 . . . . 0.0 111.669 167.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 32.3 mttp -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.449 -0.522 1 C-N-CA 134.63 5.172 . . . . 0.0 114.284 170.135 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 m -150.75 -63.34 0.19 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.115 1.366 . . . . 0.0 110.77 -173.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.31 -31.08 4.53 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.431 1.967 . . . . 0.0 116.183 -177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.83 34.1 1.98 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.246 1.023 . . . . 0.0 113.172 169.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 116.266 -1.826 . . . . 0.0 115.011 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.449 ' HA ' ' HB2' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -140.21 -110.15 0.15 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.466 1.106 . . . . 0.0 112.673 -160.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -123.39 -49.89 1.9 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.72 2.008 . . . . 0.0 107.508 157.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.85 -58.43 4.38 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.444 1.097 . . . . 0.0 111.312 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 1' ' ' MET . 88.6 mt-10 -72.35 -31.37 65.57 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.181 -0.949 . . . . 0.0 112.021 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.85 -34.59 51.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.117 0.871 . . . . 0.0 112.83 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.42 79.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.619 160.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 78' ' ' VAL 0.255 1.3 ttt -66.92 -25.3 66.3 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 170.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.48 -30.18 33.23 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.913 1.245 . . . . 0.0 113.673 160.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . 0.41 ' HA ' ' HB2' ' B' ' 13' ' ' ASP . 33.1 mtt -82.96 -13.38 56.11 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.698 1.999 . . . . 0.0 114.244 175.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.289 0.0 OUTLIER -106.15 -23.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 120.24 1.382 . . . . 0.0 113.009 169.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.52 -29.34 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 118.821 0.737 . . . . 0.0 109.624 150.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' B' ' 10' ' ' MET . 2.1 t70 -64.57 -22.09 66.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 173.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.73 -37.09 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.804 1.184 . . . . 0.0 110.55 167.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -80.09 -1.65 40.97 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.478 1.111 . . . . 0.0 113.027 168.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -101.32 -7.94 22.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.19 1.396 . . . . 0.0 112.818 165.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -71.59 0.44 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.968 1.707 . . . . 0.0 111.181 175.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -83.28 -85.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.31 0.504 . . . . 0.0 110.686 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -70.44 4.81 2.09 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.038 1.335 . . . . 0.0 113.163 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.2 -13.37 9.55 Favored Glycine 0 C--N 1.343 0.932 0 C-N-CA 128.361 2.886 . . . . 0.0 114.838 168.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.1 m -145.47 72.99 1.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.35 -1.088 . . . . 0.0 110.129 148.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 70.04 -179.99 0.24 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.931 1.692 . . . . 0.0 113.751 165.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.02 5.89 0.1 OUTLIER Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.764 1.65 . . . . 0.0 114.317 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.02 -15.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.113 1.365 . . . . 0.0 111.954 -151.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.454 HG22 ' H ' ' B' ' 26' ' ' GLN . 1.7 m 81.65 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -110.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.454 ' H ' HG22 ' B' ' 25' ' ' THR . 2.3 pt20 -111.28 81.57 1.46 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.738 1.608 . . . . 0.0 111.328 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.9 p -143.72 163.95 31.84 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 128.004 2.522 . . . . 0.0 107.003 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.8 mp -83.13 106.21 14.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.647 1.112 . . . . 0.0 108.713 158.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -78.0 153.95 31.93 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.338 -0.851 . . . . 0.0 110.614 157.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -51.41 -38.14 52.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.276 1.83 . . . . 0.0 113.127 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.47 -17.19 80.13 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.481 -1.177 . . . . 0.0 114.681 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -97.36 -44.18 6.99 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.094 1.447 . . . . 0.0 110.028 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -39.79 -52.87 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 128.858 2.863 . . . . 0.0 112.704 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -49.26 -41.39 37.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -69.69 -28.18 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.484 1.114 . . . . 0.0 111.804 -171.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 tp -70.54 -43.81 68.78 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.199 2.199 . . . . 0.0 110.827 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 32.1 mmt -61.79 -36.3 80.67 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.933 0.893 . . . . 0.0 112.569 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.47 -33.95 46.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.97 1.308 . . . . 0.0 112.819 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.82 -43.29 6.81 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.069 1.748 . . . . 0.0 109.802 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -110.04 -17.16 13.65 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.131 0.973 . . . . 0.0 113.542 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -135.18 41.5 0.64 Allowed Pre-proline 0 CA--C 1.575 1.909 0 C-N-CA 127.32 2.248 . . . . 0.0 114.723 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -46.65 -17.93 0.44 Allowed 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 124.498 3.465 . . . . 0.0 119.506 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.99 -16.16 80.87 Favored Glycine 0 N--CA 1.471 0.97 0 O-C-N 120.392 -1.443 . . . . 0.0 114.978 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -98.76 -8.21 26.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -6.8 56.78 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.553 1.941 . . . . 0.0 113.486 175.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -66.77 -23.25 66.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.251 168.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 0.6 OUTLIER -88.84 -49.77 6.62 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.455 1.502 . . . . 0.0 111.292 158.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.69 -47.75 3.34 Favored Glycine 0 N--CA 1.469 0.889 0 CA-C-O 118.241 -1.311 . . . . 0.0 115.022 170.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER 146.29 101.06 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 1 C-N-CA 132.848 4.459 . . . . 0.0 112.687 166.317 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.68 68.61 1.5 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 157.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER 46.57 5.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.827 2.851 . . . . 0.0 116.467 -168.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 30.8 p-10 -83.42 -80.0 0.19 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.929 2.492 . . . . 0.0 110.589 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' B' ' 47' ' ' SER . . . -100.42 -176.78 3.31 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.336 1.454 . . . . 0.0 110.248 171.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t 60.26 -55.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.639 1.576 . . . . 0.0 110.599 -151.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -49.71 -44.98 48.61 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.525 1.93 . . . . 0.0 112.093 163.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -10.97 54.46 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.997 1.272 . . . . 0.0 114.19 175.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.62 3.25 25.91 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.339 -0.851 . . . . 0.0 110.665 161.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.51 -70.13 0.82 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.043 2.137 . . . . 0.0 109.578 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -38.11 3.77 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 129.106 2.963 . . . . 0.0 115.181 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -41.66 96.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.332 1.453 . . . . 0.0 112.906 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.508 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -98.2 -39.88 8.65 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.999 2.12 . . . . 0.0 112.881 -174.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -31.12 -34.66 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 1 C-N-CA 131.869 4.067 . . . . 0.0 113.843 163.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.78 -28.82 1.66 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.275 1.83 . . . . 0.0 115.423 170.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -82.71 -20.1 36.72 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.49 1.041 . . . . 0.0 112.571 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.39 -86.01 0.58 Allowed Glycine 0 C--N 1.342 0.872 0 C-N-CA 124.127 0.87 . . . . 0.0 112.734 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -161.73 -41.44 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.834 1.654 . . . . 0.0 112.035 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . 169.32 -39.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 131.115 3.766 . . . . 0.0 110.156 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.73 93.42 3.11 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.534 1.159 . . . . 0.0 110.399 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.08 108.43 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 128.052 2.541 . . . . 0.0 112.548 -171.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.01 165.29 11.22 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.833 0.853 . . . . 0.0 112.6 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -56.43 -32.53 64.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 112.41 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -63.7 -52.53 60.15 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.079 1.352 . . . . 0.0 110.089 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.53 -46.27 89.17 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.891 1.676 . . . . 0.0 109.33 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.16 -62.9 1.36 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.086 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 75' ' ' ILE . 6.8 tp -59.73 -39.07 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 119.715 1.143 . . . . 0.0 113.007 -174.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.01 -47.94 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.45 1.1 . . . . 0.0 111.637 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -89.89 -14.84 33.39 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' SD ' ' A' ' 8' ' ' MET . 56.1 t -55.23 -46.19 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 120.016 1.28 . . . . 0.0 108.941 160.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.54 -14.53 30.39 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.87 16.47 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.855 1.207 . . . . 0.0 111.995 166.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -47.69 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 127.332 2.253 . . . . 0.0 110.503 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.405 HG21 HG12 ' A' ' 75' ' ' ILE . 4.1 t -51.31 -54.22 28.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.538 170.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -53.63 -47.99 69.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.177 0.899 . . . . 0.0 111.38 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.33 80.43 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -73.4 -42.64 61.86 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.45 1.477 . . . . 0.0 111.908 167.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -80.03 -33.26 39.32 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 -163.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -54.77 -7.72 0.19 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 -152.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -131.73 1.21 4.0 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 120.246 1.385 . . . . 0.0 113.223 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . 0.258 15.3 t80 58.75 -35.01 0.05 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 130.233 3.413 . . . . 0.0 117.934 170.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.93 -30.84 66.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.184 1.356 . . . . 0.0 109.758 149.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -62.53 1.8 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.449 1.9 . . . . 0.0 112.269 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.0 t -73.14 -13.05 61.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.056 1.298 . . . . 0.0 113.424 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.33 -33.24 86.72 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.761 1.172 . . . . 0.0 111.926 166.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -81.45 -59.15 2.73 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.584 0.754 . . . . 0.0 111.503 164.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? . . . . . 0 C--O 1.249 1.038 0 CA-C-O 113.754 -3.022 . . . . 0.0 116.636 -177.315 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.7 p -146.79 -165.45 2.24 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.039 2.936 . . . . 0.0 109.471 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -54.33 -59.71 4.31 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.753 2.07 . . . . 0.0 110.145 165.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' B' ' 11' ' ' ILE . 8.4 tt -42.79 -67.48 0.27 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 128.026 2.531 . . . . 0.0 111.121 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 56.3 mt-10 -74.51 -32.72 62.59 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.44 -166.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.11 -38.95 51.17 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 119.82 1.191 . . . . 0.0 111.451 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.91 -48.21 80.55 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 117.722 -1.132 . . . . 0.0 110.329 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.335 1.3 ttt -75.52 -2.04 27.1 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.42 62.26 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 118.008 -1.44 . . . . 0.0 112.219 154.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.4 mtp -62.03 -37.42 84.85 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.418 2.109 . . . . 0.0 113.547 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -80.9 -16.52 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.845 -1.159 . . . . 0.0 112.863 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.32 -36.45 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.803 1.183 . . . . 0.0 110.191 155.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.44 -36.83 66.96 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 119.675 1.125 . . . . 0.0 111.432 173.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -34.15 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 121.254 1.843 . . . . 0.0 113.296 172.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.44 -39.07 85.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.557 0.743 . . . . 0.0 110.45 170.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -26.54 68.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.816 1.647 . . . . 0.0 114.316 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . 16.3 mmt85 -75.19 -56.71 4.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.271 1.396 . . . . 0.0 110.563 169.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 98.6 m-85 -107.87 -19.11 13.63 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -161.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 p -82.32 -24.74 34.46 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.449 1.477 . . . . 0.0 109.484 148.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.23 62.99 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 120.637 -1.289 . . . . 0.0 114.885 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.3 m 125.21 -55.19 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.224 1 C-N-CA 132.085 4.154 . . . . 0.0 108.248 -166.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -143.88 135.08 25.68 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.937 2.495 . . . . 0.0 108.628 154.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.05 -15.02 3.2 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 124.321 0.963 . . . . 0.0 112.933 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.4 ' OG ' ' OE1' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -152.16 13.79 0.6 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.074 2.95 . . . . 0.0 110.625 -158.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 p 61.33 174.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.119 1.368 . . . . 0.0 111.558 -117.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.47 69.71 0.6 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.256 -2.153 . . . . 0.0 114.496 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p -144.26 154.82 43.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 126.209 1.804 . . . . 0.0 109.547 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.67 106.54 18.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.536 1.534 . . . . 0.0 109.589 161.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 t -71.1 160.39 32.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.664 0.665 . . . . 0.0 110.858 160.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -49.85 -39.74 40.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.401 1.48 . . . . 0.0 112.276 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.48 81.1 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.191 1.377 . . . . 0.0 115.626 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' OG ' ' A' ' 24' ' ' SER . 66.7 tt0 -102.94 -50.35 3.54 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.959 2.504 . . . . 0.0 108.725 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tt -42.64 -40.89 2.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.966 2.907 . . . . 0.0 113.151 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -59.25 -36.19 75.06 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.83 -32.33 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.453 1.101 . . . . 0.0 111.498 -169.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.35 -34.03 77.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 129.698 3.199 . . . . 0.0 112.397 170.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 mmt -79.85 -32.6 40.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 113.037 -161.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.83 -23.42 65.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.21 1.004 . . . . 0.0 112.596 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -107.5 -55.16 2.38 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.461 1.904 . . . . 0.0 109.906 -164.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -109.58 -8.29 15.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.665 1.186 . . . . 0.0 113.337 -168.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.36 32.29 0.22 Allowed Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 168.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -46.96 117.55 2.24 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.57 2.18 . . . . 0.0 113.611 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA2' ' HE2' ' A' ' 95' ' ' LYS . . . 131.5 -39.77 1.73 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.203 1.382 . . . . 0.0 113.244 -174.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.88 -19.15 65.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.332 1.566 . . . . 0.0 111.629 161.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -8.77 9.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.956 2.503 . . . . 0.0 113.855 168.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.38 -20.06 65.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.376 0.989 . . . . 0.0 112.464 162.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -111.73 -47.05 3.18 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.385 1.074 . . . . 0.0 110.311 167.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.53 -31.37 0.22 Allowed Glycine 0 N--CA 1.473 1.141 0 C-N-CA 126.594 2.045 . . . . 0.0 117.858 161.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 -74.54 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.004 2.122 . . . . 0.0 109.438 167.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.87 -76.78 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.329 1.852 . . . . 0.0 111.584 -165.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.57 -26.65 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 1 C-N-CA 134.408 5.083 . . . . 0.0 109.56 172.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -103.26 1.44 32.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.204 2.602 . . . . 0.0 113.752 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.47 165.61 12.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.288 1.404 . . . . 0.0 110.406 162.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t 60.41 -49.75 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.619 1.168 . . . . 0.0 110.138 -149.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.83 -40.12 20.33 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.216 3.006 . . . . 0.0 115.065 163.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -93.86 -9.21 38.05 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.003 1.274 . . . . 0.0 112.896 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.41 4.78 26.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.75 0.82 . . . . 0.0 110.602 160.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.06 -68.37 0.92 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.958 2.903 . . . . 0.0 108.674 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -31.39 10.26 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.637 2.775 . . . . 0.0 115.287 -176.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.29 -43.56 94.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.241 1.016 . . . . 0.0 112.037 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -91.9 -43.28 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.824 1.649 . . . . 0.0 112.402 -174.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -24.34 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 1 C-N-CA 132.763 4.425 . . . . 0.0 115.787 167.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.16 6.37 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.12 -8.66 57.7 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.169 1.788 . . . . 0.0 111.832 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.39 -70.75 0.01 OUTLIER Glycine 0 C--N 1.343 0.945 0 CA-C-N 120.626 1.557 . . . . 0.0 114.672 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -155.64 -63.07 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 148.2 -51.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.801 3.241 . . . . 0.0 108.419 -156.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.28 93.2 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 154.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.29 106.61 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.835 2.454 . . . . 0.0 112.099 -166.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 165.88 4.98 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.782 2.033 . . . . 0.0 113.327 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -60.66 -33.37 72.71 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.505 1.122 . . . . 0.0 112.475 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.2 p -65.28 -54.83 23.36 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.849 0.86 . . . . 0.0 110.551 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.98 -50.76 45.8 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.436 1.494 . . . . 0.0 110.264 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 78' ' ' VAL . 40.4 t80 -57.26 -64.01 1.03 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.984 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.429 HG12 HG21 ' B' ' 82' ' ' THR . 8.6 tp -59.51 -34.53 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 120.208 1.367 . . . . 0.0 113.419 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -49.59 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.754 0.822 . . . . 0.0 111.316 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -82.78 -16.67 46.96 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CE2' ' A' ' 74' ' ' PHE . 37.4 t -56.91 -48.75 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.49 1.041 . . . . 0.0 109.481 161.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.98 -12.11 4.19 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -40.08 13.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.166 1.348 . . . . 0.0 111.999 163.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.59 -41.27 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 127.657 2.383 . . . . 0.0 112.556 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.4 t -60.69 -7.67 2.41 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.8 p -113.22 -29.73 7.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.785 1.634 . . . . 0.0 112.082 167.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.11 -31.65 14.73 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -168.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.9 m -60.47 -48.42 81.84 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.453 1.479 . . . . 0.0 109.051 165.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.5 -65.66 0.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.225 2.21 . . . . 0.0 112.425 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.26 0.1 OUTLIER 45.43 4.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 1 C-N-CA 132.22 4.208 . . . . 0.0 117.633 -168.445 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 55.54 114.33 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 128.219 2.607 . . . . 0.0 112.708 -158.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -86.33 0.65 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.854 0.862 . . . . 0.0 110.315 173.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -78.2 -40.75 36.64 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.352 . . . . 0.0 109.561 158.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -158.75 -31.3 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 1 C-N-CA 131.883 4.073 . . . . 0.0 112.224 164.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 68.6 p -147.6 9.86 0.93 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 172.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.28 19.97 79.72 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.436 1.97 . . . . 0.0 113.344 -170.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.35 0.2 OUTLIER 61.04 16.65 7.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.51 2.324 . . . . 0.0 116.17 -157.545 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 C-N-CA 124.135 0.974 . . . . 0.0 111.468 164.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttm . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' B' ' 5' ' ' GLU . 29.9 p -78.75 -173.62 3.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 130.336 3.455 . . . . 0.0 112.803 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.28 -49.33 64.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.987 1.721 . . . . 0.0 110.088 170.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -87.51 -26.1 23.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -172.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 2' ' ' THR . 96.7 mt-10 -71.38 -26.32 62.74 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.608 163.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.62 60.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.846 1.657 . . . . 0.0 111.828 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.4 81.64 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.729 0.695 . . . . 0.0 110.079 163.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.437 ' SD ' HG12 ' A' ' 78' ' ' VAL . 63.3 mtm -64.71 -32.07 73.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 168.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -43.05 -53.94 5.38 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-O 117.825 -1.542 . . . . 0.0 110.347 159.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 70.2 mtp -56.74 -44.42 81.66 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.773 1.787 . . . . 0.0 113.778 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LEU 0.304 0.0 OUTLIER -79.38 -22.19 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 121.015 1.734 . . . . 0.0 115.376 178.351 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.05 -27.82 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.253 0.933 . . . . 0.0 110.18 160.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -85.23 -32.59 22.53 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.936 1.294 . . . . 0.0 113.56 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 34.4 m -62.16 -24.56 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 121.282 1.855 . . . . 0.0 111.715 163.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -78.82 -38.3 38.52 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.446 -0.784 . . . . 0.0 111.432 166.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 t -72.94 0.63 10.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.864 1.666 . . . . 0.0 114.905 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -59.92 2.54 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.552 1.941 . . . . 0.0 108.963 158.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -100.84 -20.85 15.32 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -162.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -85.95 6.16 29.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.169 -0.957 . . . . 0.0 112.228 154.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.98 -0.83 4.52 Favored Glycine 0 N--CA 1.472 1.046 0 N-CA-C 120.62 3.008 . . . . 0.0 120.62 -138.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 41.7 t -131.39 -62.36 0.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.613 -2.365 . . . . 0.0 104.613 151.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.47 ' HB3' ' H ' ' B' ' 26' ' ' GLN . 1.7 mp0 -141.29 164.69 29.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.321 2.248 . . . . 0.0 108.806 157.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.12 45.48 0.58 Allowed Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.85 1.69 . . . . 0.0 109.983 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.0 m 134.17 -152.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 130.015 3.326 . . . . 0.0 106.527 -136.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 79.8 p -98.5 76.03 2.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.636 1.107 . . . . 0.0 108.479 152.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.47 ' H ' ' HB3' ' B' ' 22' ' ' GLU 0.387 2.6 pt20 36.31 31.39 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 130.359 3.464 . . . . 0.0 118.8 -169.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.4 p -87.08 168.23 13.47 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.482 0.658 . . . . 0.0 111.334 152.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mp -86.56 104.39 15.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.422 1.489 . . . . 0.0 108.662 153.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -72.08 153.78 41.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 155.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -46.68 -37.72 8.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.02 2.128 . . . . 0.0 113.199 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.28 -21.77 69.41 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.859 -0.967 . . . . 0.0 114.962 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -84.59 -53.16 5.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.849 1.26 . . . . 0.0 109.106 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.0 tt -37.6 -45.4 0.76 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 128.357 2.663 . . . . 0.0 113.141 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -53.63 -40.48 65.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.829 1.195 . . . . 0.0 114.12 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 t -72.02 -29.98 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.997 0.817 . . . . 0.0 111.563 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.21 -38.06 89.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.407 2.283 . . . . 0.0 112.237 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 18.5 mmt -66.04 -37.19 85.23 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.066 0.848 . . . . 0.0 112.032 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -52.99 -30.05 32.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.476 1.11 . . . . 0.0 113.019 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -97.97 -46.09 6.03 Favored 'General case' 0 C--O 1.227 -0.124 0 C-N-CA 126.583 1.953 . . . . 0.0 110.305 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -120.67 -9.36 9.37 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -163.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.31 58.97 23.71 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 119.455 1.025 . . . . 0.0 111.918 155.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 165.15 2.03 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.076 2.517 . . . . 0.0 111.526 163.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.95 -47.9 1.95 Allowed Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.796 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.42 -26.11 62.92 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.73 2.265 . . . . 0.0 111.264 167.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -2.81 0.16 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.149 2.179 . . . . 0.0 114.008 167.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -53.44 -29.16 33.97 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.116 1.326 . . . . 0.0 112.667 159.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -91.73 -38.72 12.23 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.526 1.131 . . . . 0.0 112.629 166.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.51 -80.35 0.31 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.148 1.356 . . . . 0.0 111.619 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.97 119.34 4.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.912 1.285 . . . . 0.0 110.358 158.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -143.04 10.35 1.74 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.88 2.472 . . . . 0.0 111.445 -172.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . 0.379 0.0 OUTLIER 53.87 7.0 0.1 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.15 3.38 . . . . 0.0 116.478 -162.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -105.77 -16.54 14.64 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.09 1.356 . . . . 0.0 111.535 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.01 -177.14 4.25 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.086 2.555 . . . . 0.0 109.981 152.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t 56.9 -58.77 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 126.964 2.106 . . . . 0.0 112.239 -156.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.32 -33.94 63.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.34 1.456 . . . . 0.0 112.371 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -94.69 -14.09 25.16 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -1.62 28.08 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.071 0.948 . . . . 0.0 110.088 162.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -113.74 -63.04 1.5 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.82 2.848 . . . . 0.0 110.045 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -50.23 -29.75 10.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.383 1.873 . . . . 0.0 114.827 -172.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.77 -10.58 59.96 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.308 1.443 . . . . 0.0 114.23 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.641 HD22 ' CG ' ' B' ' 77' ' ' PHE . 0.2 OUTLIER -134.78 -29.83 1.13 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.976 2.111 . . . . 0.0 113.088 -173.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 59' ' ' LYS 0.255 2.5 t0 -42.62 -14.06 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 1 C-N-CA 132.292 4.237 . . . . 0.0 115.048 156.96 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.15 -28.27 0.28 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.219 1.407 . . . . 0.0 113.398 155.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.04 -47.22 87.39 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.82 2.448 . . . . 0.0 115.45 166.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.51 40.4 0.16 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -151.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p30 58.61 -30.52 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 131.519 3.928 . . . . 0.0 119.722 162.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.68 4.29 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.776 2.831 . . . . 0.0 113.887 168.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -128.35 99.6 5.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.557 1.543 . . . . 0.0 110.231 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.564 HG11 HD12 ' B' ' 61' ' ' LEU . 17.2 t -81.19 121.83 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.046 2.538 . . . . 0.0 112.102 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -73.63 164.81 26.15 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 120.422 1.465 . . . . 0.0 113.744 165.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -56.15 -43.23 78.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.374 1.869 . . . . 0.0 114.015 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -55.12 -31.52 61.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 112.3 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.18 -40.24 9.69 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -160.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -50.42 -48.14 56.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.252 153.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . 0.307 1.4 tp -64.25 -32.44 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 120.666 1.575 . . . . 0.0 113.798 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.01 -46.49 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 120.213 1.369 . . . . 0.0 111.385 168.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . 0.641 ' CG ' HD22 ' B' ' 61' ' ' LEU . 49.0 t80 -58.85 -47.48 84.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.562 0.619 . . . . 0.0 111.89 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.42 -31.58 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.155 0.582 . . . . 0.0 111.103 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.15 -2.59 31.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.11 -45.86 8.85 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.213 0.915 . . . . 0.0 110.734 153.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 mm -54.87 -38.27 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.142 1.777 . . . . 0.0 113.354 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.429 HG21 HG12 ' A' ' 75' ' ' ILE . 13.3 t -38.82 -31.05 0.05 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.002 1.721 . . . . 0.0 114.127 164.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 72.1 p -103.62 -47.69 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.962 2.105 . . . . 0.0 113.088 167.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.47 -7.04 50.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -170.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 43.1 m -53.2 -12.11 0.35 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.265 1.426 . . . . 0.0 114.49 168.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -10.98 2.13 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.131 0.973 . . . . 0.0 113.407 172.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -53.25 -21.5 5.47 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.522 1.529 . . . . 0.0 114.985 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -53.14 -71.52 0.07 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.862 2.065 . . . . 0.0 113.66 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.611 ' HB3' ' H ' ' B' ' 92' ' ' THR . 7.6 t80 -64.73 17.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.375 1.898 . . . . 0.0 114.182 177.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 66.6 -38.99 0.33 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.105 2.562 . . . . 0.0 113.306 -141.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 -4.17 2.51 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 119.73 3.233 . . . . 0.0 119.73 -170.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.611 ' H ' ' HB3' ' B' ' 89' ' ' PHE . 0.8 OUTLIER -160.37 -112.09 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.885 2.474 . . . . 0.0 107.433 164.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 97.25 -64.48 0.95 Allowed Glycine 0 N--CA 1.47 0.94 0 CA-C-N 121.426 1.921 . . . . 0.0 113.386 166.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 14.7 tp -139.55 43.43 1.99 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.282 0.563 . . . . 0.0 110.894 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 8.2 tptp . . . . . 0 C--O 1.25 1.098 0 C-N-CA 130.255 3.422 . . . . 0.0 108.66 168.79 . . . . . . . . 0 0 . 1 stop_ save_